SCHEMBL10043314

SCHEMBL10043314

CCCCCc1ccc(C2CCC(C3CC=C(c4ccc(C5CCC(CCCCC)CC5)cc4F)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
SPHK2 Q9NRA0 7/20 0.38
RARB P10826 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10043305 0.99 SPHK1 (0.43) SPHK1SPHK2RARBITGB3ITGA2B
SCHEMBL10043307 0.98 SPHK1 (0.39) SPHK1SPHK2RARBCYP2C9
SCHEMBL10043306 0.96 SPHK1 (0.37) SPHK1SPHK2CYP2C9
SCHEMBL871960 0.94 SPHK1 (0.33) SPHK1SPHK2CYP2C9
SCHEMBL871961 0.94 SPHK1 (0.33) SPHK1SPHK2CYP2C9
SCHEMBL10043098 0.93 CYP2C9 (0.32) SPHK1CYP2C9
SCHEMBL10043116 0.93 SPHK1 (0.39) SPHK1SPHK2RARBCYP2C9
SCHEMBL10043308 0.93 SPHK1 (0.35) SPHK1SPHK2CYP2C9
SCHEMBL10043100 0.92 CYP3A4 (0.33) SPHK1CYP2C9
SCHEMBL10043086 0.92 CYP2C9 (0.31) CYP2C9

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 SPHK1 1060/4885SPHK2 1090/4885RARB 3408/4885

“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.