SCHEMBL2483680

SCHEMBL2483680

CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
PDK2 Q15119 1/20 0.33
RARB P10826 1/20 0.31
ERN1 O75460 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PTGS2 P35354 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL15461665 0.96 PDK2 (0.34) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL13002205 0.94 ALOX5AP (0.34) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL13002343 0.94 ALOX5AP (0.38) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL12205424 0.93 RARB (0.37) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3439584 0.93 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3439575 0.92 PDK2 (0.32) GRM2S1PR1S1PR3PDK2
SCHEMBL12226099 0.92 RARB (0.41) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL13002339 0.92 GRM2 (0.33) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15304006 0.92 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15304009 0.92 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3

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
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8551359-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
EP-2377909-B1 Liquid crystalline compounds and liquid crystalline media MERCK PATENT GMBH (DE) 2013-01-23 EP disclosed
EP-2377909-B1 Liquid crystalline compounds and liquid crystalline media MERCK PATENT GMBH (DE) 2013-01-23 EP disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
US-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA Merck Patent Gesellschaft mit bescrankter Haftung (DE) 2011-10-20 US disclosed
EP-2377909-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-10-19 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-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT GRM2 2881/4885ALOX5AP 1014/4885FEN1 3980/4885

“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.