SCHEMBL12739746

SCHEMBL12739746

CCCCc1ccc(CCC2CCC(c3ccc(C4CCC(CC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
S1PR3 Q99500 1/20 0.33
OPRL1 P41146 6/20 0.33
BCHE P06276 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL12739698 0.95 S1PR1 (0.35) S1PR1HTR2AHTR2CS1PR3OPRL1
SCHEMBL12739751 0.94 S1PR1 (0.36) S1PR1HTR2AHTR2CS1PR3OPRL1
SCHEMBL12734987 0.93 OPRL1 (0.36) S1PR1OPRL1BCHESPHK1
SCHEMBL12739744 0.93 HTR2A (0.35) S1PR1HTR2AHTR2COPRL1
SCHEMBL12739752 0.91 S1PR1 (0.39) S1PR1HTR2AHTR2COPRL1SPHK1
SCHEMBL12739697 0.91 OPRL1 (0.34) S1PR1HTR2AHTR2COPRL1
SCHEMBL12739702 0.90 S1PR1 (0.34) S1PR1HTR2AHTR2COPRL1
SCHEMBL10302127 0.88 HTR2A (0.34) S1PR1HTR2AHTR2COPRL1
SCHEMBL10302158 0.88 S1PR1 (0.33) S1PR1HTR2AHTR2COPRL1
SCHEMBL12716424 0.88 OPRL1 (0.37) OPRL1BCHESPHK1

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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 1190/4885HTR2A 841/4885HTR2C 253/4885

“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.