SCHEMBL15345486

SCHEMBL15345486

CCOc1cccc2ccc(CN)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 1/20 0.40
CSNK2A1 P68400 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2A6 P11509 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
OGG1 O15527 1/20 0.38

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
SCHEMBL15345837 0.88 CSNK2A1 (0.55) HTR1BCSNK2A1TLR8CYP2A6
SCHEMBL15345352 0.87 ROCK1 (0.45) HTR1BALDH1A1MAPTCSNK2A1TLR8
SCHEMBL15345390 0.83 DHODH (0.46) HTR1BALDH1A1MAPT
SCHEMBL29102436 0.79 CYP2A6 (0.47) HTR1BALDH1A1MAPTTLR8TSHR
SCHEMBL29919659 0.79 CYP2A6 (0.47) HTR1BALDH1A1MAPTTLR8TSHR
SCHEMBL3819696 0.78 MTNR1A (0.51) HTR1BGAAMAPTALOX5CA12
SCHEMBL29862266 0.77 CYP2A6 (0.46) HTR1BALDH1A1MAPTTLR8TSHR
SCHEMBL15345463 0.76 DPP4 (0.47) GAA
SCHEMBL28228074 0.75 HTR2A (0.50) CYP2A6
SCHEMBL15345351 0.75 CSNK2A1 (0.55) HTR1BCSNK2A1TLR8CYP2A6

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 HTR1B 163/4885ALDH1A1 250/4885GAA 4030/4885

“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.