SCHEMBL15345346

SCHEMBL15345346

NCc1cc(I)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
LOXL2 Q9Y4K0 5/20 0.42
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ASIC3 Q9UHC3 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
CYP2A6 P11509 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33

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
SCHEMBL15345595 0.78 ROCK1 (0.47) HTR2ALOXL2ROCK1TAAR1ASIC3
SCHEMBL8655955 0.78 HTR2A (0.52) HTR2ALOXL2ROCK1ALDH1A1HIF1A
SCHEMBL15345404 0.76 NQO2 (0.55) HTR2ALOXL2ALDH1A1TAAR1KDM4E
SCHEMBL15345412 0.76 CYP1A2 (0.55) HTR2ALOXL2ROCK1ALDH1A1HIF1A
SCHEMBL15345473 0.76 HTR2A (0.50) HTR2ALOXL2ROCK1ALDH1A1HIF1A
SCHEMBL15345433 0.76 HTR2A (0.50) HTR2ALOXL2ROCK1ALDH1A1HIF1A
SCHEMBL24782609 0.73 ALDH1A1 (0.54) HTR2ALOXL2ROCK1ALDH1A1HIF1A
SCHEMBL15345745 0.73 KDM4E (0.55) HTR2ALOXL2ROCK1ALDH1A1TAAR1
SCHEMBL15345376 0.73 HTR2A (0.47) HTR2ALOXL2ALDH1A1MAPTCYP2A6
SCHEMBL15345666 0.72 HTR2A (0.46) HTR2AALDH1A1KDM4EMAPT

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 700/4885LOXL2 3456/4885ROCK1 1678/4885

“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.