SCHEMBL305077

SCHEMBL305077

CCCCCc1ccc(O)c(C=O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.81
KAT8 Q9H7Z6 2/20 0.56
PPARA Q07869 1/20 0.53
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP3A4 P08684 2/20 0.49
PTGS2 P35354 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL304629 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL304974 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL6882282 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL27840244 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL304650 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL9318508 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL305081 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL11415237 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL11421416 0.98 CDK1 (0.84) CDK1KAT8PPARAESR1ADRA2A
SCHEMBL19497893 0.97 CDK1 (0.76) CDK1KAT8PPARAESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4587669-B2 2010-11-24 JP claimed
JP-2005509662-A 2005-04-14 JP claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
EP-0721482-B1 ADHESION PROMOTER FOR PVC COMPOUNDS DU PONT (US) 1997-11-05 EP claimed
US-5219954-A Improved ductility, flexural stiffness, modulus and tensile strength SHELL OIL COMPANY (US) 1993-06-15 US claimed
US-20230257655-A1 COMPOUND WITH VERTICAL ALIGNMENT, LIQUID CRYSTAL DISPLAY PANEL, AND PREPARATION METHOD THEREOF TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2023-08-17 US disclosed
US-10723952-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-07-28 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-20020106509-A1 Stretchable fibers of polymers, spinnerets useful to form the fibers, and articles produced therefrom INVISTA NORTH AMERICA S.A.R.L. 2002-08-08 US disclosed
WO-2002027082-A1 STRETCHABLE FIBERS OF POLYMERS, SPINNERETS USEFUL TO FORM THE FIBERS, AND ARTICLES PRODUCED THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-04 WO disclosed
WO-2002027083-A1 STRETCHABLE POLYMERIC FIBERS AND ARTICLES PRODUCED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-04 WO disclosed
EP-0530904-B1 A composition comprising a polymer of carbon monoxide and ethylenically unsaturated compounds SHELL INT RESEARCH (NL) 1997-03-05 EP disclosed
US-5219954-A Improved ductility, flexural stiffness, modulus and tensile strength SHELL OIL COMPANY (US) 1993-06-15 US disclosed
EP-0530904-A1 A composition comprising a polymer of carbon monoxide and ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-03-10 EP disclosed
US-5166266-A Terpolymer of carbon monoxide, ethylene, and unsaturated hydrocarbon monomer; vapor barriers SHELL OIL COMPANY (US) 1992-11-24 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 (4 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 CDK1 4235/4885KAT8 832/4885PPARA 116/4885
US-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 CDK1 1895/4885KAT8 4101/4885PPARA 3980/4885
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 CDK1 750/4885KAT8 2979/4885PPARA 2834/4885
US-10723952-B2 Polymerizable compound and optically anisotropic body SMC4, SMCHD1, PHOSPHO1 CDK1 708/4885KAT8 2988/4885PPARA 2894/4885

“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.