SCHEMBL256951

SCHEMBL256951

COCC(=O)C(C#N)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.40
PBRM1 Q86U86 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALOX5 P09917 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL15020934 0.87 ALDH1A1 (0.40) ALDH1A1GAALMNAHTTFFAR1
SCHEMBL15042181 0.86 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1LMNAHTT
SCHEMBL10848249 0.84 TSHR (0.49) ALDH1A1GAAL3MBTL1LMNAHTT
SCHEMBL11813324 0.82 ALDH1A1 (0.49) ALDH1A1GAALMNAHTTPOLB
SCHEMBL3591959 0.81 NPC1 (0.53) ALDH1A1FFAR1ALOX5
SCHEMBL1055546 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAHTTPOLB
SCHEMBL1095499 0.80 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTFFAR1
SCHEMBL9149235 0.80 CNR2 (0.57) ALDH1A1L3MBTL1PBRM1ALOX5
SCHEMBL31724116 0.79 ALDH1A1 (0.50) ALDH1A1GAANPSR1KMT2AALOX5
SCHEMBL27914975 0.79 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1FFAR1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 US disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 US disclosed
WO-2012030170-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR (주)아모레퍼시픽 (KR) 2012-03-08 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-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR CNR1, CNR2, GPR18 ALDH1A1 2139/4885GAA 3078/4885L3MBTL1 2982/4885

“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.