SCHEMBL20102609

SCHEMBL20102609

CCCCCC1CCC(c2ccc(-c3ccc4c(c3F)-c3c-4cc(-c4ccc(CCCC)cc4F)c(F)c3F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
RARB P10826 1/20 0.35
SPHK2 Q9NRA0 7/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 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
SCHEMBL20111534 0.91 SPHK1 (0.37) SPHK1RARBSPHK2FFAR4
SCHEMBL10946817 0.86 SPHK1 (0.47) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL10946823 0.86 SPHK1 (0.47) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL9775763 0.85 SPHK1 (0.48) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL9775767 0.85 SPHK1 (0.48) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL10947243 0.84 SPHK1 (0.43) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL10947235 0.84 SPHK1 (0.43) SPHK1RARBSPHK2FFAR4CYP3A4
SCHEMBL10943958 0.83 SPHK1 (0.42) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10943945 0.83 SPHK1 (0.42) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL20102577 0.82 MEN1 (0.34) SPHK1SPHK2FFAR4CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S SPHK1 1401/4885RARB 1858/4885SPHK2 1251/4885

“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.