SCHEMBL71268

SCHEMBL71268

COc1cc(F)c(C=O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 2/20 0.65
TSHR P16473 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
PRKDC P78527 2/20 0.59
MAPT P10636 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM1A O60341 1/20 0.46
ERN1 O75460 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HMGCR P04035 1/20 0.42

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
SCHEMBL29636410 1.00 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL436131 0.91 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2915368 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL87864 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1620757 0.88 LMNA (0.56) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL31291730 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL15033540 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20488498 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL856062 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL70785 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005530823-A 2005-10-13 JP claimed
US-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-09-29 US claimed
EP-1515953-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME Aventis Pharma S.A. (FR) 2005-03-23 EP claimed
CN-1143843-C Process for preparing trifluoromethyl sulfoacid 2-trimethylammonium-4,5-dimethoxy-benzaldehyde 中国科学院上海原子核研究所 2004-03-31 CN claimed
WO-2003106431-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME AVENTIS PHARMA S.A. (FR) 2003-12-24 WO claimed
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-03 US disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
CN-113518776-B Benzothiophene compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-26 CN disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-5079256-A Administering to treat diseases of circulatory organs such as renal/cardiac insufficiency YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
US-5077406-A Cyclization, deprotecting and salt formation YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-12-31 US disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 US disclosed
US-4966904-A DILUROGENITAL DISORDERS; DILATION OF NEOPHROVASCULAR TRACTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-10-30 US disclosed
EP-0346367-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 EP disclosed
US-4876261-A UROGENITAL DISORDERS; NEPHROVASCULAR DILATORS; ACT ON DOPAMINE RECEPTOR YAMANOUCHI PHARMACEUTICAL CO., LTD. 1989-10-24 US disclosed
WO-1988006580-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-07 WO disclosed
EP-0027993-A1 6-Fluorodihydroxyphenylalanines, a process for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1981-05-06 EP 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 (6 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-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation HK1, ACE, CTSZ ALDH1A1 448/4885KDM4E 2325/4885TSHR 4004/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885KDM4E 4235/4885TSHR 2748/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885TSHR 4262/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR ALDH1A1 4678/4885KDM4E 3663/4885TSHR 3853/4885
US-12540144-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, CHP1, FKBP8 ALDH1A1 4764/4885KDM4E 4000/4885TSHR 2134/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 ALDH1A1 4631/4885KDM4E 3832/4885TSHR 4022/4885

“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.