SCHEMBL15345396

SCHEMBL15345396

Cc1ccc2cccc(CN)c2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.57
CYP1A2 P05177 4/20 0.57
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PLG P00747 1/20 0.40
KLK1 P06870 1/20 0.40
MAOA P21397 1/20 0.39
MTNR1A P48039 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 2/20 0.38
HTR1D P28221 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
LOXL2 Q9Y4K0 1/20 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
SCHEMBL14065415 0.85 CYP2A6 (0.53) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL15345458 0.85 CYP1A2 (0.57) CYP2A6CYP1A2TDP1SLC6A2SLC6A4
SCHEMBL7752840 0.82 CYP2A6 (0.59) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL8033115 0.82 CYP2A6 (0.50) CYP2A6CYP1A2TDP1MAOAMTNR1A
Ammonia Solution, Strong SCHEMBL27919191 0.81 CYP2A6 (0.57) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL3277029 0.81 CYP1A2 (0.57) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL11586426 0.81 CYP1A2 (0.57) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL7838287 0.79 CYP2A6 (0.55) CYP2A6CYP1A2TDP1MTNR1AHTR2A
SCHEMBL7822961 0.78 CYP2A6 (0.53) CYP2A6CYP1A2TDP1MAOAMTNR1A
SCHEMBL15345368 0.78 CYP1A2 (0.50) CYP2A6CYP1A2MTNR1AHTR2AHTR1D

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
WO-2018064493-A1 PHOSPHAGUANIDINE GROUP IV METAL OLEFIN POLYMERIZATION CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-05 WO disclosed
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 98/4885TDP1 2643/4885

“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.