SCHEMBL12740974

SCHEMBL12740974

CCCCCc1ccc(-c2ccc(-c3ccc(COc4ccc(OC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
SMPD1 P17405 2/20 0.43
RARB P10826 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
PPARD Q03181 1/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL12740521 0.93 FFAR1 (0.44) FFAR1SMPD1RARBHRH3CASP3
SCHEMBL12740977 0.91 FFAR1 (0.44) FFAR1SMPD1RARBMAPTHRH3
SCHEMBL12741003 0.91 FFAR1 (0.47) FFAR1SMPD1RARBHRH3CASP3
SCHEMBL10302294 0.89 FFAR1 (0.41) FFAR1SMPD1RARBKDM4EMAPT
SCHEMBL12741008 0.89 FFAR1 (0.44) FFAR1SMPD1RARBMAPTHRH3
SCHEMBL12736523 0.88 SMPD1 (0.45) FFAR1SMPD1RARBS1PR1
SCHEMBL12740969 0.87 MAPT (0.45) FFAR1KDM4EMAPTMAPK1PPARD
SCHEMBL12822597 0.87 FFAR1 (0.50) FFAR1KDM4EMAPTMAPK1PPARD
SCHEMBL10303112 0.87 MAPT (0.47) FFAR1KDM4EMAPTMAPK1PPARD
SCHEMBL12736558 0.87 RARB (0.47) FFAR1SMPD1RARBMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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 (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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR1 247/4885SMPD1 4718/4885RARB 2705/4885

“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.