SCHEMBL12735481

SCHEMBL12735481

CCCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.43
FFAR4 Q5NUL3 6/20 0.40
RARB P10826 2/20 0.36
PTPN11 Q06124 1/20 0.34
FFAR1 O14842 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
RARA P10276 1/20 0.33
CRBN Q96SW2 1/20 0.33
GRM2 Q14416 1/20 0.33
MCL1 Q07820 1/20 0.32
C3AR1 Q16581 1/20 0.32

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
SCHEMBL12735490 0.98 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12735506 0.97 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12735500 0.97 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12735495 0.97 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12740057 0.93 FFAR4 (0.40) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12735479 0.92 FFAR4 (0.39) S1PR1S1PR3FFAR4FFAR1NR1H4
SCHEMBL12740058 0.92 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL14765993 0.91 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12740066 0.91 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBPTPN11
SCHEMBL12740064 0.91 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBPTPN11

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 1190/4885S1PR3 757/4885FFAR4 546/4885

“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.