SCHEMBL3937795

SCHEMBL3937795

NCc1c(I)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 3/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
HTR2A P28223 1/20 0.57
HSD17B10 Q99714 6/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPRT1 P00492 2/20 0.41
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL20577411 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL4304817 0.79 L3MBTL1 (0.57) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL332449 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL10751032 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL3910923 0.76 HSD17B10 (0.41) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL2452503 0.75 KDM4E (1.00) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL6399339 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL6403906 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL4351690 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EGAAMAPTTAAR1
SCHEMBL6404477 0.75 ALDH1A1 (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090736-B2 Rheological agent for radiation-curable coating compositions BASF SE (DE) 2015-07-28 US claimed
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
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO 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.