SCHEMBL15345458

SCHEMBL15345458

Cc1ccc2c(CN)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2A6 P11509 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HTR2A P28223 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 1/20 0.38
TAAR1 Q96RJ0 2/20 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
SCHEMBL15345396 0.85 CYP2A6 (0.57) CYP1A2CYP2A6TDP1SLC6A2SLC6A4
SCHEMBL7747919 0.82 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1LMNAGAA
SCHEMBL14496748 0.81 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1LMNAGAA
SCHEMBL1648517 0.81 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1LMNAGAA
Ammonia Solution, Strong SCHEMBL27919138 0.81 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1LMNAGAA
SCHEMBL23527419 0.79 CYP2C19 (0.55) CYP1A2KDM4EALDH1A1LMNACYP2A6
SCHEMBL15345487 0.78 CYP2A6 (0.55) CYP1A2ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL4020188 0.78 PLAU (0.55) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4847363 0.78 ROCK1 (0.49) CYP2A6LOXL2HTR2ATAAR1
SCHEMBL15345818 0.78 CYP1A2 (0.50) CYP1A2GAACYP2A6HTR2ATAAR1

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 5 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
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP 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 CYP1A2 98/4885KDM4E 1985/4885ALDH1A1 250/4885

“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.