SCHEMBL12740985

SCHEMBL12740985

CCCCCCCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.42
PTPN11 Q06124 2/20 0.42
PPARD Q03181 5/20 0.41
MAPK1 P28482 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL12740986 1.00 FFAR1 (0.42) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12740987 1.00 FFAR1 (0.42) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12740983 0.99 FFAR1 (0.43) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12740982 0.97 FFAR1 (0.44) FFAR1PPARDMAPK1S1PR1S1PR3
SCHEMBL12741022 0.96 PTPN11 (0.44) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12741024 0.96 PTPN11 (0.44) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12741026 0.96 PTPN11 (0.44) FFAR1PTPN11PPARDMAPK1S1PR2
SCHEMBL12741018 0.94 PTPN11 (0.43) FFAR1PTPN11PPARDMAPK1S1PR1
SCHEMBL12740539 0.94 S1PR1 (0.42) FFAR1PTPN11PPARDS1PR2S1PR1
SCHEMBL12740538 0.94 S1PR1 (0.42) FFAR1PTPN11PPARDS1PR2S1PR1

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 247/4885PTPN11 3889/4885PPARD 3762/4885

“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.