SCHEMBL15345356

SCHEMBL15345356

CCc1ccc2cc(CN)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.64
CYP1A2 P05177 1/20 0.64
ASIC3 Q9UHC3 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
TRPA1 O75762 1/20 0.43
ST14 Q9Y5Y6 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL15345795 0.93 CYP2A6 (0.61) CYP2A6CYP1A2ASIC3AKR1C3AKR1C2
SCHEMBL29407167 0.87 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1
SCHEMBL347592 0.87 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1
SCHEMBL9016348 0.87 ASIC3 (0.57) CYP2A6CYP1A2ASIC3CA12CA1
SCHEMBL27522450 0.86 HRH3 (0.54) CYP2A6CYP1A2ASIC3AKR1C3AKR1C2
SCHEMBL6890734 0.82 CYP2A6 (0.73) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1
SCHEMBL6885287 0.82 CYP2A6 (0.73) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1
SCHEMBL17592414 0.82 ASIC3 (0.46) CYP2A6CYP1A2ASIC3CA12CA1
SCHEMBL29475635 0.79 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1
SCHEMBL1878783 0.79 CYP2A6 (0.76) CYP2A6CYP1A2AKR1C3AKR1C2TAAR1

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
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 CYP2A6 278/4885CYP1A2 98/4885ASIC3 1232/4885

“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.