SCHEMBL240726

SCHEMBL240726

O=P(O)(O)Cc1ccc(C(c2cc[c]cc2)(c2ccc(CP(=O)(O)O)cc2)c2ccc(CP(=O)(O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 9/20 0.54
PGK2 P07205 9/20 0.54
ENPP2 Q13822 2/20 0.41
ACP3 P15309 1/20 0.40
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
PTPRB P23467 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL241492 0.82 PGK1 (0.50) PGK1PGK2ENPP2ACP3DGAT2
SCHEMBL5037236 0.77 PGK1 (0.61) PGK1PGK2ENPP2ACP3ANPEP
SCHEMBL241467 0.76 CA2 (0.41) PGK1PGK2
SCHEMBL1617420 0.76 PGK1 (0.67) PGK1PGK2ENPP2ACP3DGAT2
SCHEMBL240691 0.75 PGK1 (0.44) PGK1PGK2ENPP2ACP3DGAT2
SCHEMBL4112772 0.73 PGK1 (0.49) PGK1PGK2ENPP2ACP3ANPEP
SCHEMBL2995687 0.73 PGK1 (0.72) PGK1PGK2ENPP2ACP3PTPN2
SCHEMBL4382814 0.72 PGK1 (0.47) PGK1PGK2ENPP2ACP3
SCHEMBL241549 0.69 PGK1 (0.32) PGK1PGK2ACP3
SCHEMBL9407120 0.69 PGK1 (0.59) PGK1PGK2ENPP2ACP3PTPRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 US claimed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US claimed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US claimed
WO-2005017953-A2 IN SITU PATTERNING OF ELECTROLYTE FOR MOLECULAR INFORMATION STORAGE DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO claimed
EP-4319823-A1 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF North Carolina State University (US) 2024-02-14 EP disclosed
WO-2022216927-A9 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-09-14 WO disclosed
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2021-02-16 US disclosed
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds NORTH CAROLINA STATE UNIVERSITY (US) 2020-11-17 US disclosed
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2019-10-10 US disclosed
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS UNITED STATES DEPARTMENT OF ENERGY 2019-08-22 US disclosed
US-10253033-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2019-04-09 US disclosed
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS UNIV NORTH CAROLINA STATE (US) 2018-03-15 US disclosed
US-20080280047-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-11-13 US disclosed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US disclosed
US-20070155963-A1 Geometric synthesis of porphyrin rods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-31 US disclosed
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 US disclosed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155963-A1 Geometric synthesis of porphyrin rods PPOX, DLD, PYCR1 PGK1 2060/4885PGK2 2457/4885ENPP2 2670/4885
US-10253033-B2 De novo synthesis of bacteriochlorins BCL6, ALDH1A2, ALAD PGK1 1489/4885PGK2 820/4885ENPP2 1789/4885
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices PCNA, SCD, BCL6 PGK1 1014/4885PGK2 1153/4885ENPP2 834/4885
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS DLD, HCCS, PPIF PGK1 1441/4885PGK2 1009/4885ENPP2 2731/4885
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds PPOX, MRPL19, PYCR1 PGK1 4319/4885PGK2 4168/4885ENPP2 3616/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF PGK1 1441/4885PGK2 1009/4885ENPP2 2731/4885
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS PPOX, PPIC, ALAD PGK1 2679/4885PGK2 2103/4885ENPP2 3046/4885
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR PGK1 1208/4885PGK2 876/4885ENPP2 2905/4885
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD PGK1 1489/4885PGK2 820/4885ENPP2 1789/4885
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins PPOX, HMBS, CYC1 PGK1 773/4885PGK2 779/4885ENPP2 3608/4885
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin DHPS, NOTUM, DOHH PGK1 1730/4885PGK2 1755/4885ENPP2 2619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.