SCHEMBL240545

SCHEMBL240545

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
MIF P14174 1/20 0.39
SLC13A5 Q86YT5 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL239872 0.79 ALDH1A1 (0.42) CYP2C19HIF1AALDH1A1ADRA1ACYP2D6
SCHEMBL29115700 0.79 CYP2C19 (0.47) CYP2C19HIF1AMIFSLC13A5ALDH1A1
SCHEMBL239125 0.76 HDAC3 (0.37) HIF1AALDH1A1ADRA1ATSHR
SCHEMBL12258196 0.74 CYP2C19 (0.45) CYP2C19HIF1AMIFALDH1A1TSHR
SCHEMBL240529 0.72
SCHEMBL6916093 0.70 CYP2C19 (0.55) CYP2C19HIF1AMIFSLC13A5ALDH1A1
SCHEMBL238009 0.68
SCHEMBL241549 0.68 PGK1 (0.32)
SCHEMBL28810886 0.68 CYP2C19 (0.59) CYP2C19HIF1AMIFALDH1A1CHRM1
SCHEMBL1604732 0.68 CYP2C19 (0.59) CYP2C19HIF1AMIFALDH1A1CHRM1

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 66 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
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS UNIV NORTH CAROLINA STATE (US) 2018-03-15 US disclosed
US-7534807-B2 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 NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-19 US disclosed
US-7501508-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINE STATE UNIVERSITY (US) 2009-03-10 US disclosed
WO-2007078498-A1 GEOMETRIC SYNTHESIS OF PORPHYRIN RODS NORTH CAROLINA STATE UNIVERSITY (US) 2007-07-12 WO 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-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
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 (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 CYP2C19 2501/4885HIF1A 2564/4885MIF 2526/4885
US-10253033-B2 De novo synthesis of bacteriochlorins BCL6, ALDH1A2, ALAD CYP2C19 2504/4885HIF1A 2135/4885MIF 2563/4885
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 CYP2C19 2411/4885HIF1A 722/4885MIF 801/4885
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS DLD, HCCS, PPIF CYP2C19 1616/4885HIF1A 2504/4885MIF 4029/4885
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds PPOX, MRPL19, PYCR1 CYP2C19 153/4885HIF1A 3933/4885MIF 3666/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF CYP2C19 1616/4885HIF1A 2504/4885MIF 4029/4885
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS PPOX, PPIC, ALAD CYP2C19 411/4885HIF1A 2682/4885MIF 3642/4885
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR CYP2C19 174/4885HIF1A 1221/4885MIF 2956/4885
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD CYP2C19 2504/4885HIF1A 2135/4885MIF 2563/4885
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins PPOX, HMBS, CYC1 CYP2C19 141/4885HIF1A 1261/4885MIF 3914/4885
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates DNMT1, TET1, SOD1 CYP2C19 3511/4885HIF1A 2137/4885MIF 1101/4885

“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.