SCHEMBL10152844

SCHEMBL10152844

COc1cccc([C@@H](C)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.49
TAAR1 Q96RJ0 2/20 0.49
CASR P41180 3/20 0.47
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL13220754 1.00 AOC3 (0.49) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL12776275 1.00 AOC3 (0.49) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL20738700 0.83 TAAR1 (0.51) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL10446047 0.82 AOC3 (0.53) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL18827388 0.81 TAAR1 (0.42) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL12263568 0.81 AOC3 (0.53) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL22391545 0.80 GPR139 (0.44)
SCHEMBL18475529 0.80 GPR139 (0.44)
SCHEMBL23745686 0.80 AOC3 (0.51) AOC3TAAR1CASRACHEL3MBTL1
SCHEMBL11991412 0.80 AOC3 (0.51) AOC3TAAR1CASRACHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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 (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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 AOC3 1923/4885TAAR1 1858/4885CASR 4728/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 AOC3 4059/4885TAAR1 1121/4885CASR 403/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 AOC3 1881/4885TAAR1 343/4885CASR 112/4885

“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.