SCHEMBL12735656

SCHEMBL12735656

CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
FFAR4 Q5NUL3 4/20 0.37
FFAR1 O14842 3/20 0.37
RARB P10826 4/20 0.37
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
CNR2 P34972 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR3 Q99500 3/20 0.35
CNR1 P21554 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL12735657 0.97 S1PR1 (0.44) S1PR1FFAR4FFAR1RARBRARA
SCHEMBL12735658 0.96 S1PR1 (0.44) S1PR1FFAR4FFAR1RARBRARA
SCHEMBL12735662 0.96 S1PR1 (0.44) S1PR1FFAR4FFAR1RARBRARA
SCHEMBL12735661 0.96 S1PR1 (0.44) S1PR1FFAR4FFAR1RARBRARA
SCHEMBL14765754 0.93 S1PR1 (0.48) S1PR1FFAR4FFAR1RARBRARA
SCHEMBL14765992 0.91 S1PR1 (0.46) S1PR1FFAR1RARBRARARARG
SCHEMBL12735655 0.90 NAAA (0.40) S1PR1FFAR4FFAR1S1PR3PPARD
SCHEMBL12735572 0.90 FFAR4 (0.38) S1PR1FFAR4FFAR1RARBCNR2
SCHEMBL12740105 0.90 FFAR4 (0.38) S1PR1FFAR4FFAR1RARBCNR2
SCHEMBL12740143 0.89 S1PR1 (0.45) S1PR1FFAR4FFAR1RARBCNR2

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 S1PR1 1190/4885FFAR4 546/4885FFAR1 247/4885

“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.