SCHEMBL6399345

SCHEMBL6399345

NCc1ccc2ccccc2c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.41
HPRT1 P00492 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1B P28222 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 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
Hydrochloric Acid SCHEMBL20564378 0.82 TAAR1 (0.48) ALDH1A1MAPTTAAR1TSHRHSD17B10
SCHEMBL21470098 0.81 HSD17B10 (0.46) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL8476855 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL27767874 0.79 CYP2A6 (0.44) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL8912245 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL3668888 0.79 HTR2A (0.42) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL15263192 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL29484446 0.78 CYP1A2 (0.58) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL110689 0.78 CYP1A2 (0.58) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL332449 0.77 ALDH1A1 (0.62) 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 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 1985/4885GAA 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.