SCHEMBL15345481

SCHEMBL15345481

NCc1cc(Cc2ccccc2)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
CALM1 P0DP23 1/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL15345782 0.86 HTR2A (0.46) HTR2AAPOBEC3AAPOBEC3GLOXL2GPR55
SCHEMBL8655955 0.85 HTR2A (0.52) HTR2ALOXL2
SCHEMBL21822102 0.84 CALM1 (0.44) CALM1APOBEC3AAPOBEC3GPTPN1PTPN2
SCHEMBL15345803 0.83 LOXL2 (0.42) HTR2ACALM1LOXL2
SCHEMBL21822230 0.82 L3MBTL1 (0.46) CALM1APOBEC3AAPOBEC3GPTPN1PTPN2
SCHEMBL15345338 0.80 HTR2A (0.47) HTR2ALOXL2
SCHEMBL9857923 0.79 KDM4E (0.46) CALM1APOBEC3AAPOBEC3G
SCHEMBL15345699 0.76 TLR8 (0.48) HTR2ALOXL2
SCHEMBL23465385 0.76 CYP1A2 (0.55) CALM1APOBEC3AAPOBEC3G
SCHEMBL15345770 0.75 TLR8 (0.42) HTR2A

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 HTR2A 700/4885CALM1 942/4885APOBEC3A 1761/4885

“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.