SCHEMBL15380460

SCHEMBL15380460

CCc1ccc2ccccc2c1CN

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HTR2A P28223 1/20 0.53
NCEH1 Q6PIU2 2/20 0.43
ATM Q13315 1/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HPRT1 P00492 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
SCHEMBL332449 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL103056 0.86 NCEH1 (0.50) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL7435869 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTTAAR1
Hydrogen Sulfide SCHEMBL27749667 0.84 NCEH1 (0.49) ALDH1A1KDM4EGAAMAPTTAAR1
Ammonia Solution, Strong SCHEMBL28559089 0.84 NCEH1 (0.49) ALDH1A1KDM4EGAAMAPTTAAR1
Phosphine SCHEMBL28240090 0.84 NCEH1 (0.49) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL15345476 0.82 GAA (0.50) ALDH1A1KDM4EGAAMAPTTAAR1
Hydrochloric Acid SCHEMBL15822836 0.81 GAA (0.49) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL11795980 0.81 L3MBTL1 (0.53) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL11860817 0.81 NCEH1 (0.43) ALDH1A1KDM4EGAAMAPTTAAR1

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 3 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

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 ALDH1A1 250/4885KDM4E 1985/4885GAA 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.