SCHEMBL62245

SCHEMBL62245

Nc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
CYP3A4 P08684 3/20 0.74
ESR1 P03372 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
ESR2 Q92731 2/20 0.74
TSHR P16473 1/20 0.74
CA3 P07451 1/20 0.68
THRB P10828 1/20 0.68
ALOX15 P16050 1/20 0.68
CA6 P23280 1/20 0.68
CASP1 P29466 1/20 0.68
HIF1A Q16665 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CA14 Q9ULX7 1/20 0.68
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR3A P46098 1/20 0.54

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
4,4'-Methylenedianiline SCHEMBL10904310 0.89 ALDH1A1 (0.75) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL36454 0.86 ESR1 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL2969737 0.86 ESR1 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL1304762 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL3482770 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL8094139 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
4,4'-Methylenedianiline SCHEMBL15105282 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
4,4'-Methylenedianiline SCHEMBL28001 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
SCHEMBL6362775 0.86 CYP3A4 (1.00) ALDH1A1CYP3A4ESR1TDP1ESR2
4,4'-Methylenedianiline SCHEMBL29147413 0.85 ABAT (0.61) ALDH1A1CYP3A4ESR1TDP1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4737398-A POLYAZOMETHYNE, POLYESTER OR POLYCARBONATE POLYPLASTICS CO., LTD. (JP) 1988-04-12 US claimed
US-20240191137-A1 THERMOPLASTIC COMPOSITIONS AND USES THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2024-06-13 US disclosed
WO-2024095883-A1 MODIFIER FOR THERMOPLASTIC RESIN, RESIN COMPOSITION, AND USE OF ROSIN RESIN 荒川化学工業株式会社 2024-05-10 WO disclosed
WO-2024095880-A1 MODIFYING AGENT FOR THERMOPLASTIC RESINS, RESIN COMPOSITION, AND USE OF HYDROGENATED AROMATIC HYDROCARBON RESIN 荒川化学工業株式会社 2024-05-10 WO disclosed
WO-2024095878-A1 MODIFIER FOR THERMOPLASTIC RESIN, RESIN COMPOSITION, USE OF HYDROGENATED AROMATIC HYDROCARBON RESIN, TACKIFIER, AND PRESSURE-SENSITIVE ADHESIVE OR ADHESIVE COMPOSITION 荒川化学工業株式会社 2024-05-10 WO disclosed
US-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-10-05 US disclosed
EP-3143010-B1 ENERGY EFFICIENT MANUFACTURING PROCESS FOR PREPARING N,O-TRIGLYCIDYL AMINOPHENOLS ADITYA BIRLA CHEMICALS THAILAND LTD (TH) 2020-04-08 EP disclosed
CN-106536493-B Energy efficient manufacturing process for the preparation of N, O-triglycidyl aminophenols 阿迪亚波拉化学品(泰国)有限公司 2019-10-22 CN disclosed
CN-109071784-A Polycarbonate resin fluidity improver and its manufacturing method and poly carbonate resin composition and its molded product 株式会社钟化 2018-12-21 CN disclosed
US-10023548-B2 Energy efficient manufacturing process for preparing N,O-triglycidyl aminophenols ADITYA BIRLA CHEMICALS (THAILAND) LTD. (TH) 2018-07-17 US disclosed
EP-0063881-A1 Poly(ester-amide) derived from p-hydroxybenzoic acid, 2,6-naphthalene-dicarboxylic acid and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-11-03 EP disclosed
US-4355132-A Anisotropic melt phase forming poly(ester-amide) derived from p-hydroxybenzoic acid, 2,6-naphthalenedicarboxylic acid, aromatic monomer capable of forming an amide linkage, and, optionally, hydroquinone and additional carbocyclic dicarboxylic acid CELANESE CORPORATION (US) 1982-10-19 US disclosed
US-4351918-A Poly(ester-amide) capable of forming an anisotropic melt phase derived from 6-hydroxy-2-naphthoic acid, other aromatic hydroxyacid, carbocyclic dicarboxylic acid, and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-09-28 US disclosed
US-4341688-A Poly(ester-amide) capable of forming an anisotropic melt phase derived from dihydroxyanthraquinone, hydroxybenzoic acid, dicarboxylic acid, and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-07-27 US disclosed
US-4339375-A Poly(ester-amide) capable of forming an anisotropic melt phase derived from p-hydroxybenzoic acid, 2,6-dihydroxynaphthalene, carbocyclic dicarboxylic acid, aromatic monomer capable of forming an amide linkage, and, optionally, additional aromatic diol CELANESE CORPORATION (US) 1982-07-13 US disclosed
EP-0053940-A1 Poly(ester-amide) capable of forming an anisotropic melt phase derived from 6-hydroxy-2-naphthoic acid, dicarboxylic acid and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-06-16 EP disclosed
US-4330457-A Poly(ester-amide) capable of forming an anisotropic melt phase derived from 6-hydroxy-2-naphthoic acid, dicarboxylic acid, and aromatic monomer capable of forming an amide linkage CELANESE CORPORATION (US) 1982-05-18 US disclosed
US-4094861-A Process for the production of non-inflammable polytriazines BAYER AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed
US-4059567-A High molecular weight polytriazines of soluble polymeric N-cyano-isourea ethers BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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 (2 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-10023548-B2 Energy efficient manufacturing process for preparing N,O-triglycidyl aminophenols HPD, PAH, ATIC ALDH1A1 1024/4885CYP3A4 28/4885ESR1 97/4885
US-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE POT1, RIF1, TERT ALDH1A1 1949/4885CYP3A4 832/4885ESR1 3332/4885

“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.