SCHEMBL64953

SCHEMBL64953

COc1[c]c2ccccc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 3/20 0.44
NQO1 P15559 1/20 0.44
TLR8 Q9NR97 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NQO2 P16083 4/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 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
SCHEMBL5147482 0.85 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ENQO1TLR8
SCHEMBL7879722 0.81 CYP2A6 (0.36) ALDH1A1HPGDKDM4ENQO1TLR8
SCHEMBL4308923 0.78 CA12 (0.44) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL9776339 0.78 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ENQO1CA12
SCHEMBL11647430 0.78 MAPT (0.47) ALDH1A1HPGDKDM4ENQO1NQO2
SCHEMBL15409769 0.78 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL9857390 0.77 RAB9A (0.40) ALDH1A1KDM4EMAPTCYP1A2CYP2A6
SCHEMBL6672925 0.75 CA1 (0.39) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL2256687 0.74 NQO1 (0.55) ALDH1A1HPGDKDM4ENQO1CA12
SCHEMBL2254235 0.74 CA1 (0.41) ALDH1A1HPGDKDM4ENQO1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
US-7932012-B2 Polymer (polyimide or polybenzoxazole precursor) having an acid functional group, a compound having substituent(s) derived from an amine functional group as chain extender, a photoreactive compound, and a solvent; surface protecting film or interlayer dielectric for semiconductor device HITACHI CHEMICAL DUPONT MICROSYSTEMS LTD. (JP) 2011-04-26 US claimed
EP-1169302-B1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-09-29 EP claimed
US-20040106610-A1 Compounds BERNSTEIN PETER ROBERT (US) 2004-06-03 US claimed
US-6586432-B2 Peptide neurotransmitter suppressors such as N-((-2-(3,4-dichlorophenyl)-4-morholino)butyl)-N-methyl-2-methoxy-3-cyano-1 -naphthamide, used for prophylaxis of arthritis, pain, alzheimer's disease, schizophrenia, edema, rhinitis or asthma ASTRAZENELA AB (SE) 2003-07-01 US claimed
US-20030092713-A1 Neurokinin-1 receptor antagonists BERNSTEIN PETER ROBERT (US) 2003-05-15 US claimed
JP-2002541137-A 2002-12-03 JP claimed
US-6476077-B1 N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists ASTRAZENECA AB (SE) 2002-11-05 US claimed
EP-1169302-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-01-09 EP claimed
WO-2000059873-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-10-12 WO claimed
US-20240241442-A1 Positive Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-18 US disclosed
WO-2024135508-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
US-12013639-B2 Positive resist material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-18 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP disclosed
US-4629733-A CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-12-16 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 (3 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-20040106610-A1 Compounds NR2C2, NR0B2, NR5A2 ALDH1A1 2538/4885HPGD 3657/4885KDM4E 2462/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ALDH1A1 418/4885HPGD 226/4885KDM4E 1545/4885
US-20030092713-A1 Neurokinin-1 receptor antagonists NTSR2, NTSR1, CRHR2 ALDH1A1 2644/4885HPGD 3608/4885KDM4E 2703/4885

“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.