SCHEMBL423798

SCHEMBL423798

O=C(Cc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.59
CES2 O00748 1/20 0.59
LMNA P02545 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
SRD5A2 P31213 1/20 0.54
VNN1 O95497 2/20 0.53
MAOB P27338 1/20 0.52
KCNK3 O14649 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
NR4A2 P43354 1/20 0.51
CYP26A1 O43174 1/20 0.51
CYP26B1 Q9NR63 1/20 0.51
KDM4E B2RXH2 1/20 0.51
XBP1 P17861 1/20 0.51
ALOX12 P18054 1/20 0.51
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6970291 0.92 CES2 (0.61) DDR1CES2LMNAMEN1KMT2A
SCHEMBL423797 0.90 MEN1 (0.62) DDR1CES2LMNAMEN1KMT2A
SCHEMBL17581950 0.88 CES2 (0.56) DDR1CES2LMNAMEN1KMT2A
SCHEMBL11503483 0.86 DDR1 (0.59) DDR1CES2LMNAMAPTCYP26A1
SCHEMBL4749524 0.86 CES2 (0.54) DDR1CES2MEN1KMT2AMAPT
SCHEMBL3282343 0.86 CES2 (0.54) DDR1CES2LMNAMEN1KMT2A
SCHEMBL2929610 0.86 VNN1 (0.57) DDR1CES2MEN1KMT2ASRD5A2
SCHEMBL27952195 0.84 CES2 (0.56) CES2LMNAMEN1KMT2AMAPT
SCHEMBL28882273 0.83 CES2 (0.62) CES2LMNAMEN1KMT2AMAPT
SCHEMBL9602346 0.83 VNN1 (0.61) DDR1CES2MEN1KMT2AVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468708-B1 Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts COGNIS IP MAN GMBH (DE) 2016-11-09 EP disclosed
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2468708-A1 Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts Cognis IP Management GmbH (DE) 2012-06-27 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 US disclosed
US-6380436-B1 REACTING 4-TRIFLUOROMETHYLBENZONITRILE WITH GRIGNARD REAGENT SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2002-04-30 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B DDR1 2340/4885CES2 653/4885LMNA 2615/4885
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 DDR1 497/4885CES2 4307/4885LMNA 4246/4885

“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.