SCHEMBL15345448

SCHEMBL15345448

COc1cccc2cc(CN)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
NQO1 P15559 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ROCK1 Q13464 1/20 0.44
KLKB1 P03952 1/20 0.41
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
ATM Q13315 1/20 0.40
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ASIC3 Q9UHC3 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
SCHEMBL14756186 0.87 KDM4E (0.57) DHODHKDM4EMAOBCYP1A2CYP3A4
SCHEMBL15345390 0.86 DHODH (0.46) DHODHNQO1ALDH1A1KDM4EHPGD
SCHEMBL2665741 0.84 CYP1A2 (0.50) DHODHNQO1ALDH1A1KDM4EHPGD
SCHEMBL15345352 0.83 ROCK1 (0.45) ALDH1A1KDM4EHPGDHSD17B10ROCK1
SCHEMBL15345351 0.81 CSNK2A1 (0.55) ROCK1
SCHEMBL15345666 0.81 HTR2A (0.46) NQO1ALDH1A1KDM4EHPGDATM
SCHEMBL11740249 0.80 ALDH1A1 (0.45) DHODHNQO1ALDH1A1KDM4EHPGD
SCHEMBL15345402 0.79 DPP4 (0.47) ROCK1LOXL2ASIC3
SCHEMBL11397853 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ECYP3A4TSHRKMT2A
SCHEMBL14756188 0.78 POLB (0.59) DHODHHSD17B10CYP1A2TSHRNFKB1

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 DHODH 2294/4885NQO1 322/4885ALDH1A1 250/4885

“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.