SCHEMBL9857461

SCHEMBL9857461

NCc1c(Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HTR2A P28223 2/20 0.50
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL3837906 0.87 GPR55 (0.49) GPR55
SCHEMBL15345537 0.86 KDM4E (0.49) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL332449 0.83 ALDH1A1 (0.62) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL10726190 0.82 GPR55 (0.45) GPR55
SCHEMBL9858100 0.79 KDM4E (0.47) KDM4EMAPTGPR55
SCHEMBL10750274 0.78 GPR55 (0.42) GPR55
SCHEMBL15380460 0.78 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL4931267 0.78 GPR55 (0.47) GPR55
SCHEMBL2201481 0.75 CYP1A2 (0.43) GPR55
SCHEMBL10726187 0.75 GPR55 (0.45) GPR55

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
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP claimed
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 KDM4E 1985/4885ALDH1A1 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.