SCHEMBL3475307

SCHEMBL3475307

Cc1ccc(OC(C)(C)C(=O)O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PPARA Q07869 11/20 0.44
PPARG P37231 6/20 0.44
MAPT P10636 3/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 2/20 0.40
RAB9A P51151 1/20 0.40
FABP2 P12104 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
P2RY14 Q15391 1/20 0.37

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
SCHEMBL16326512 0.85 KDM4E (0.45) MAP4K4KDM4EALDH1A1HSD17B10MAPT
SCHEMBL3474425 0.81 MAP4K4 (0.48) MAP4K4KDM4EALDH1A1HSD17B10PPARA
SCHEMBL2824496 0.81 MAP4K4 (0.61) MAP4K4ALDH1A1PPARAPPARGMAPT
SCHEMBL1046555 0.81 MAP4K4 (0.48) MAP4K4KDM4EALDH1A1HSD17B10PPARA
SCHEMBL201045 0.79 LMNA (0.50) MAP4K4PPARAPPARGKMT2APPARD
SCHEMBL13750249 0.79 MAP4K4 (0.46) MAP4K4KDM4EALDH1A1HSD17B10PPARA
SCHEMBL3475308 0.79 MAP4K4 (0.46) MAP4K4KDM4EALDH1A1HSD17B10PPARA
Hydrochloric Acid SCHEMBL199908 0.78 LMNA (0.49) MAP4K4PPARAPPARGKMT2APPARD
SCHEMBL3524458 0.78 MAP4K4 (0.45) MAP4K4KDM4EALDH1A1HSD17B10PPARA
SCHEMBL3476037 0.78 MAP4K4 (0.45) MAP4K4PPARAPPARGMAPTCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
CN-101048368-A Acyclic hydrazides as cannabinoid receptor modulators MERCK & CO INC (US) 2007-10-03 CN disclosed
EP-1807388-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
WO-2006041797-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-04-20 WO disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 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 (2 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-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators CNR1, CNR2, FAAH MAP4K4 2241/4885KDM4E 2167/4885ALDH1A1 2539/4885
US-20060115425-A1 Substituted amides CNR1, CNR2, FAAH MAP4K4 2487/4885KDM4E 1953/4885ALDH1A1 2485/4885

“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.