SCHEMBL3374583

SCHEMBL3374583

Cc1cccc(OC(C)(C)C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARA Q07869 9/20 0.42
PPARG P37231 6/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
PPARD Q03181 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP4A11 Q02928 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP4F2 P78329 1/20 0.41
RAB9A P51151 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2655450 0.81 PPARA (0.49) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL22070731 0.81 PPARA (0.50) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL3375687 0.78 CYP4A11 (0.49) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL14545220 0.77 CCR1 (0.44) KDM4EALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL3374708 0.76 MAPT (0.41) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL3647432 0.74 RAB9A (0.44) KDM4EALDH1A1CYP2C19CYP2C9MEN1
SCHEMBL3368880 0.74 CNR1 (0.46) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL3527685 0.72 PPARA (0.42) KDM4EALDH1A1HSD17B10PPARAPPARG
SCHEMBL13680498 0.72 CCR1 (0.43) MEN1KMT2ARAB9ACCR1CCR8
SCHEMBL19534745 0.72 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2006041797-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-04-20 WO disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (3 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG KDM4E 3788/4885ALDH1A1 3568/4885HSD17B10 4497/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH KDM4E 3097/4885ALDH1A1 2986/4885HSD17B10 4401/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH KDM4E 3097/4885ALDH1A1 2986/4885HSD17B10 4401/4885

“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.