SCHEMBL233241

SCHEMBL233241

Cc1ccc(CO)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
SRC P12931 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
TNF P01375 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL30150898 1.00 AMY1A (0.43) AMY1ATAAR1TRPA1CYP1A2CYP2A6
SCHEMBL12345571 0.90 AMY1A (0.41) AMY1ATAAR1TRPA1CYP1A2TDP1
SCHEMBL12509537 0.88 AMY1A (0.39) AMY1ATAAR1TRPA1CYP1A2TDP1
SCHEMBL11215766 0.86 TAAR1 (0.45) AMY1ATAAR1TRPA1CYP1A2CYP2A6
SCHEMBL8142729 0.86 AMY1A (0.38) AMY1ATAAR1TRPA1CYP1A2CYP2A6
SCHEMBL18699782 0.86 KMT2A (0.42) AMY1ATAAR1TRPA1CYP1A2CYP2A6
SCHEMBL16960245 0.84 TAAR1 (0.39) AMY1ATAAR1SRCTSHRHSD17B10
SCHEMBL17122748 0.83 ALDH1A1 (0.37) AMY1ATAAR1TDP1SRCPDE4A
SCHEMBL16937931 0.83 PDE4A (0.39) AMY1ATAAR1TDP1SRCPDE4A
SCHEMBL12688310 0.83 GABRA1 (0.41) AMY1ATAAR1TRPA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102701912-A Synthetic method of 2,5-dimethyl-1,3-dihydro-1H-indene-2-base methanol essence JINGJIANG TAIDA PERFUME CHEMICAL CO LTD 2012-10-03 CN claimed
US-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION ALCHEMEDICINE, INC. (JP) 2024-08-29 US disclosed
EP-4361146-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION Alchemedicine, Inc. (JP) 2024-05-01 EP disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
WO-2022270487-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2022-12-29 WO disclosed
WO-2022270487-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2022-12-29 WO disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
EP-2817351-B1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LTD (GB) 2020-08-26 EP disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
EP-1361219-A1 Herbicidal indanylalkylamino-1,3,5-triazines, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators Bayer CropScience GmbH (DE) 2003-11-12 EP disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP disclosed
EP-0238753-B1 N-SUBSTITUTED CONDENSED POLYMETHYLENE IMINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-01-15 EP disclosed
US-4959374-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, GLAUCOMA, HYPERGLYCEMIC AGENTS, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1990-09-25 US disclosed
US-4863946-A HYPOGLYCEMIC AND HYPOTENSIVE AGENTS BEECHAM GROUP PLC (GB) 1989-09-05 US disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AMY1A 3082/4885TAAR1 116/4885TRPA1 839/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A AMY1A 3082/4885TAAR1 116/4885TRPA1 839/4885
US-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION EDNRA, EDNRB, ECE1 AMY1A 2877/4885TAAR1 126/4885TRPA1 290/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 AMY1A 3612/4885TAAR1 1555/4885TRPA1 4780/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A AMY1A 3082/4885TAAR1 116/4885TRPA1 839/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 AMY1A 3150/4885TAAR1 582/4885TRPA1 2469/4885

“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.