SCHEMBL7978183

SCHEMBL7978183

Cc1cc(Cl)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.57
CYP1A2 P05177 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARD Q03181 9/20 0.55
PPARG P37231 3/20 0.55
TSHR P16473 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
FABP2 P12104 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL28363492 0.88 TSHR (0.55) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL581884 0.85 PPARA (0.59) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL11176467 0.84 TSHR (0.51) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL1331593 0.83 PPARA (0.57) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL14934285 0.83 PPARA (0.53) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL13593225 0.83 TSHR (0.47) PPARACYP1A2MEN1MAPTKMT2A
SCHEMBL23519081 0.82 TSHR (0.53) PPARACYP1A2MEN1MAPTKMT2A
SCHEMBL1417566 0.82 PPARA (0.56) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL1369354 0.82 PPARA (0.56) PPARACYP1A2MEN1CYP3A4CYP2D6
SCHEMBL21056074 0.81 TSHR (0.49) PPARACYP1A2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-13 US disclosed
US-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-13 US disclosed
US-4898608-A Pyridylthio-acylanilide herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
US-4797146-A INSECTICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
US-4627871-A Herbicidal 2-[4-substituted carboxyamino-phenoxy (or phenyl mercapto)]-substituted pyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 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 (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-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 PPARA 778/4885CYP1A2 138/4885MEN1 2852/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 PPARA 455/4885CYP1A2 320/4885MEN1 2484/4885

“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.