SCHEMBL6399339

SCHEMBL6399339

NCc1c(F)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
HTR2A P28223 1/20 0.57
HSD17B10 Q99714 7/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HPRT1 P00492 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR1B P28222 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 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
SCHEMBL24663928 0.79 NCEH1 (0.45) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL29678866 0.79 NCEH1 (0.45) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL15414490 0.79 HSD17B10 (0.48) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL6641451 0.79 HSD17B10 (0.44) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL15351901 0.79 HSD17B10 (0.44) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL3674577 0.78 HTR2A (0.67) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL10751032 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL332449 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL29439367 0.76 HTR2A (0.64) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL31618149 0.76 HSD17B10 (0.46) ALDH1A1KDM4EMAPTGAATAAR1

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 7 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
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 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 1985/4885MAPT 3001/4885

“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.