SCHEMBL360286

SCHEMBL360286

COc1[c]ccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.43
HPGD P15428 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP2A6 P11509 1/20 0.42
FDPS P14324 1/20 0.41
TTR P02766 1/20 0.38
ALDH1A3 P47895 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
PTGER4 P35408 1/20 0.34

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
SCHEMBL21616763 0.80 TRPA1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL3773246 0.79 ALDH1A1 (0.47) ALDH1A1TSHRTDP1HPGDFDPS
SCHEMBL2791518 0.78 TYR (0.44) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL1172169 0.78 TYR (0.44) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL1172170 0.78 TYR (0.44) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL15475023 0.76 TUBB1 (0.51) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL15475022 0.76 TUBB1 (0.51) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL10883368 0.75 GAA (0.53) ALDH1A1TSHRTDP1HPGDFDPS
SCHEMBL15474739 0.74 MAPT (0.56) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL15474737 0.74 MAPT (0.56) ALDH1A1HPGDMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
EP-2994447-B1 PRO-FRAGRANCE COMPOUNDS FIRMENICH & CIE (CH) 2020-04-08 EP claimed
EP-2408889-B1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO KGAA (DE) 2012-12-26 EP claimed
US-20100168228-A1 NOVEL CHEMOTHERAPEUTIC AGENTS AGAINST INFLAMMATION AND CANCER RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2010-07-01 US claimed
EP-2081565-A2 CINNAMIC ACID, VANILLIC ACID AND BENZOFURAN DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION AND CANCER Reliance Life Sciences Pvt., Ltd. (IN) 2009-07-29 EP claimed
WO-2008062466-A2 CINNAMIC ACID, VANILLIC ACID AND BENZOFURAN DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION AND CANCER RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2008-05-29 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-0506231-B1 Smoking composition containing a flavorant-release saccharide additive PHILIP MORRIS PROD (US) 1996-09-11 EP claimed
US-3995055-A AMINO ACID ESTER DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JA) 1976-11-30 US claimed
US-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US disclosed
US-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT BASF SE (DE) 2024-06-20 US disclosed
US-20240199516-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES BASF SE (DE) 2024-06-20 US disclosed
US-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2024-06-20 US disclosed
US-20240166585-A1 MIXTURES OF META AND PARA SUBSTITUTED 4-ISOBUTYL-CYCLOHEXANE AS AROMA INGREDIENT BASF SE (DE) 2024-05-23 US disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
EP-0375723-B1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING S COLLEGE LONDON (GB) 1994-03-23 EP disclosed
EP-0375723-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES. KING S COLLEGE LONDON (GB) 1990-07-04 EP disclosed
WO-1989002473-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING'S COLLEGE LONDON (GB) 1989-03-23 WO disclosed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 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 (5 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-20100168228-A1 NOVEL CHEMOTHERAPEUTIC AGENTS AGAINST INFLAMMATION AND CANCER NFKBIA, NFATC1, CHUK ALDH1A1 762/4885TSHR 4867/4885TDP1 2899/4885
US-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT PIR, ENY2, IMPA1 ALDH1A1 436/4885TSHR 4397/4885TDP1 853/4885
US-20240166585-A1 MIXTURES OF META AND PARA SUBSTITUTED 4-ISOBUTYL-CYCLOHEXANE AS AROMA INGREDIENT CYP19A1, CYP1A1, CYP3A4 ALDH1A1 250/4885TSHR 4247/4885TDP1 3717/4885
US-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS AHR, ARNT, TRPA1 ALDH1A1 18/4885TSHR 3106/4885TDP1 4277/4885
US-20240199516-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES DEK, TRPA1, DGKI ALDH1A1 282/4885TSHR 4630/4885TDP1 3548/4885

“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.