SCHEMBL15345301

SCHEMBL15345301

NCc1c(C2CCCCC2)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 1/20 0.48
HTR2A P28223 1/20 0.46
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP1B1 Q16678 1/20 0.40
DRD2 P14416 1/20 0.39
ACP3 P15309 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 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
SCHEMBL7656027 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL7653344 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL7649416 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL7654242 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL7650240 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2D6
SCHEMBL11243776 0.78 CYP1B1 (0.42) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL7650583 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19HSD17B10CYP2D6
SCHEMBL7652681 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL168782 0.77 SLC6A4 (0.54) ALDH1A1KDM4ECYP1A2CYP2C19HSD17B10
SCHEMBL30032791 0.77 SLC6A4 (0.54) ALDH1A1KDM4ECYP1A2CYP2C19HSD17B10

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 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.