SCHEMBL15345649

SCHEMBL15345649

COc1cc(CN)c2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
HTR2A P28223 1/20 0.46
AKR1B1 P15121 1/20 0.46
CDC25B P30305 3/20 0.44
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HTR2B P41595 1/20 0.41
NQO1 P15559 1/20 0.41
NQO2 P16083 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL20562784 0.86 TAAR1 (0.51) MEN1KMT2ACYP1A2CYP2A6HTR2A
SCHEMBL8965862 0.84 AKR1B1 (0.50) MEN1KMT2ACYP1A2CYP2A6AKR1B1
SCHEMBL13490711 0.84 CDC25B (0.49) MEN1KMT2ACYP1A2CYP2A6AKR1B1
SCHEMBL15345811 0.83 HTR2A (0.43) MEN1KMT2AHTR2ANQO1TDP1
SCHEMBL4702310 0.82 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2A6AKR1B1
SCHEMBL5252235 0.82 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2A6AKR1B1
SCHEMBL4699483 0.82 MEN1 (0.48) MEN1KMT2ACYP1A2CYP2A6AKR1B1
SCHEMBL15345467 0.81 HTR2A (0.44) MEN1KMT2AHTR2A
SCHEMBL15345391 0.81 MTNR1A (0.56) CYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL15345768 0.80 HTR2A (0.41) MEN1KMT2ACYP1A2HTR2ATDP1

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 MEN1 1563/4885KMT2A 1169/4885CYP1A2 98/4885

“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.