SCHEMBL3484283

SCHEMBL3484283

FC(F)(F)Oc1ccc(C(F)(F)Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
EPHX2 P34913 2/20 0.45
TRPV1 Q8NER1 3/20 0.44
KIF11 P52732 3/20 0.43
GPR3 P46089 1/20 0.42
CCR6 P51684 4/20 0.40
KCNH2 Q12809 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PDE2A O00408 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL254957 0.84 MAPT (0.56) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL101989 0.78 TRPV1 (0.62) MAPTEPHX2TRPV1KIF11CCR6
SCHEMBL14703791 0.78 TRPV1 (0.49) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL4475330 0.78 MAPT (0.44) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL11683258 0.78 MAPT (0.44) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL927399 0.78 ALDH1A1 (0.37) KIF11ALDH1A1
SCHEMBL21900444 0.77 MAPT (0.47) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL97453 0.77 MAPT (0.47) MAPTEPHX2TRPV1KIF11GPR3
SCHEMBL220074 0.77 MAPT (0.47) MAPTEPHX2KIF11GPR3KCNH2
SCHEMBL10989192 0.76 TRPV1 (0.54) TRPV1KIF11NISCH

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
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-1940769-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 MAPT 2840/4885EPHX2 2616/4885TRPV1 1239/4885

“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.