SCHEMBL6940385

SCHEMBL6940385

Cc1ccc(Br)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.36
EDNRA P25101 4/20 0.36
KMT2A Q03164 1/20 0.36
APLNR P35414 2/20 0.36
ALPL P05186 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
RAB9A P51151 1/20 0.34
NQO2 P16083 1/20 0.33
PKM P14618 1/20 0.33
DRD2 P14416 1/20 0.33
PREP P48147 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL2287094 0.85 RAB9A (0.43) KMT2AAPLNRRAB9APKMDRD2
SCHEMBL30393256 0.85 RAB9A (0.43) KMT2AAPLNRRAB9APKMDRD2
SCHEMBL1415192 0.82 CA12 (0.39) KMT2AAPLNRCA12CA1CA9
SCHEMBL15085977 0.81 APLNR (0.45) KMT2AAPLNRALPLCA12CA1
SCHEMBL4816617 0.80 DRD2 (0.45) EDNRBEDNRAALPLRAB9ADRD2
SCHEMBL14573872 0.80 FFAR1 (0.38) KMT2ACA12CA1CA9DRD2
SCHEMBL61072 0.80 ALDH1A1 (0.42) CA12CA1CA9RAB9ADRD2
SCHEMBL941194 0.80 DRD2 (0.40) EDNRBEDNRAALPLRAB9ADRD2
SCHEMBL28480864 0.80 ALOX15 (0.44) KMT2AAPLNRPKMALDH1A1
SCHEMBL14992971 0.80 HTR2A (0.36) KMT2AAPLNRALPLCA12CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785692-B1 SUBSTITUTED ANILINES AS CCR(4) ANTAGONISTS CHEMOCENTRYX INC (US) 2017-09-27 EP disclosed
EP-2668152-B1 BICYCLIC TRAMADOL DERIVATIVES FOR CONTROLLING PAIN LILLY CO ELI (US) 2016-10-12 EP disclosed
WO-2015161014-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
US-8802728-B2 Analgesic compounds, methods, and formulations ELI LILLY AND COMPANY (US) 2014-08-12 US disclosed
US-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS ELI LILLY AND COMPANY (US) 2013-08-29 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
EP-1164178-B1 Electroluminescent devices having arylamine polymers EASTMAN KODAK CO (US) 2003-09-03 EP disclosed
EP-1164178-A1 Electroluminescent devices having arylamine polymers EASTMAN KODAK COMPANY (US) 2001-12-19 EP disclosed
US-6329086-B1 GOOD SOLUBILITY, EFFICIENCY AND STABILITY; EMITTING COLOR OF THE POLYMER CAN BE EASILY TUNED BY THE INCORPORATION OF DESIRED AROMATIC GROUP; POLYARYLENEVINYLENE EASTMAN KODAK COMPANY 2001-12-11 US 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 (2 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-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS OPRL1, OPRK1, OPRM1 EDNRB 1060/4885EDNRA 817/4885KMT2A 2773/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 EDNRB 1648/4885EDNRA 1034/4885KMT2A 1290/4885

“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.