SCHEMBL12205482

SCHEMBL12205482

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
FFAR4 Q5NUL3 4/20 0.36
FFAR1 O14842 1/20 0.36
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
CHRM5 P08912 2/20 0.32
ERN1 O75460 1/20 0.32
PDK2 Q15119 1/20 0.32
GPR3 P46089 2/20 0.32
PDE2A O00408 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
SCHEMBL12624815 0.91 RARB (0.40) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL20118150 0.90 GRM2 (0.36) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL2483680 0.90 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3439584 0.90 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL19829192 0.89 FFAR1 (0.35) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL12624826 0.89 RARB (0.36) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL15304009 0.89 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL15304006 0.89 GRM2 (0.36) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL18310587 0.88 FFAR1 (0.34) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL18162336 0.88 ALOX5AP (0.40) GRM2ALOX5APFEN1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-10-20 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
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 (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-20110253935-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT GRM2 2881/4885ALOX5AP 1014/4885FEN1 3980/4885
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND HCN1, PIEZO1, NCS1 GRM2 1606/4885ALOX5AP 2522/4885FEN1 2590/4885

“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.