SCHEMBL3519974

SCHEMBL3519974

CC1(C(=O)O)CCc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
PPARA Q07869 15/20 0.47
PPARG P37231 10/20 0.47
PPARD Q03181 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL29455981 1.00 TRPM8 (0.47) TRPM8PPARAPPARGPPARDSIGMAR1
SCHEMBL3520901 0.83 POLB (0.47) TRPM8PPARA
SCHEMBL8653315 0.80 AKT1 (0.50) PPARAPPARGPPARDPTGS1PTGS2
SCHEMBL6797538 0.80 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL8410197 0.79 TRPM8 (0.49) TRPM8PPARAPPARGSIGMAR1
SCHEMBL10506242 0.79 ALDH1A1 (0.45) PPARA
SCHEMBL19469681 0.78 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL22129840 0.78 EPHX2 (0.47) TRPM8PPARAPPARGPPARD
SCHEMBL22798929 0.78 PPARA (0.44) PPARAPPARGPPARDPTGS1PTGS2
SCHEMBL19469595 0.78 PPARA (0.46) PPARAPPARGPPARD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634958-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CHROMAN-CARBOXYLATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-15 EP claimed
CN-112770628-B Method for obtaining an enriched population of functional mesenchymal stem cells, cells obtained and compositions comprising same 斯托斯宾有限公司 2022-07-01 CN disclosed
CN-109422737-B Imidazolone androgen receptor antagonist, preparation method and application thereof 上海时莱生物技术有限公司 2021-07-30 CN disclosed
CN-110461321-A Composition containing N-acetyl diaminobutyric acid BITOP AG 2019-11-15 CN disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
EP-0910331-B1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-09-08 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
EP-0910331-A4 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-11-03 EP disclosed
EP-0910331-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP disclosed
WO-1997039726-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-10-30 WO 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 (1 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-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH TRPM8 1178/4885PPARA 387/4885PPARG 133/4885

“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.