SCHEMBL239872

SCHEMBL239872

O=C(O)CCC(CCC(=O)O)(CCC(=O)O)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
ESR2 Q92731 1/20 0.42
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK1 O14757 1/20 0.36
FYN P06241 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
GRK5 P34947 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK8 P49336 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKX P51817 1/20 0.36

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
SCHEMBL239125 0.89 HDAC3 (0.37) ALDH1A1ESR1CYP3A4ESR2TSHR
SCHEMBL240545 0.79 CYP2C19 (0.41) ALDH1A1TSHRHIF1AADRA1ACYP2C19
SCHEMBL11279155 0.76 BCHE (0.46) ALDH1A1ESR1CYP3A4ESR2TSHR
SCHEMBL238009 0.74
SCHEMBL8480813 0.73 CYP2C19 (0.44) ALDH1A1ESR1CYP3A4ESR2TSHR
SCHEMBL241628 0.71
SCHEMBL243384 0.71 GRM4 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL8483276 0.71 HIF1A (0.46) ALDH1A1ESR1CYP3A4ESR2TSHR
SCHEMBL240140 0.70
SCHEMBL239996 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US claimed
CN-117881432-A Porphyrin-hydrogen porphyrin compounds, compositions comprising the same, and methods of use thereof 北卡罗莱纳州立大学 2024-04-12 CN disclosed
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
WO-2018102252-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2018-06-07 WO disclosed
US-7501508-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINE STATE UNIVERSITY (US) 2009-03-10 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
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-05-17 US disclosed
WO-2007047925-A2 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2007-04-26 WO disclosed
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO disclosed
WO-2007018807-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO 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

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

For each of this compound's patents that has machine-readable text (10 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 ALDH1A1 883/4885ESR1 4393/4885CYP3A4 3397/4885
US-10253033-B2 De novo synthesis of bacteriochlorins BCL6, ALDH1A2, ALAD ALDH1A1 263/4885ESR1 2597/4885CYP3A4 3866/4885
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 ALDH1A1 205/4885ESR1 460/4885CYP3A4 3742/4885
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS DLD, HCCS, PPIF ALDH1A1 2805/4885ESR1 3427/4885CYP3A4 2449/4885
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds PPOX, MRPL19, PYCR1 ALDH1A1 1630/4885ESR1 1666/4885CYP3A4 739/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF ALDH1A1 2805/4885ESR1 3427/4885CYP3A4 2449/4885
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS PPOX, PPIC, ALAD ALDH1A1 1003/4885ESR1 2955/4885CYP3A4 1068/4885
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR ALDH1A1 567/4885ESR1 3029/4885CYP3A4 146/4885
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins PPOX, HMBS, CYC1 ALDH1A1 917/4885ESR1 3963/4885CYP3A4 222/4885
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates DNMT1, TET1, SOD1 ALDH1A1 77/4885ESR1 1458/4885CYP3A4 1562/4885

“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.