SCHEMBL10043259

SCHEMBL10043259

CCCCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(C5CCC(OCCCC)CC5)cc4F)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.33
SGPL1 O95470 6/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CYP2C9 P11712 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL10043213 0.94 CYP3A4 (0.35) S1PR1SGPL1GAAMAPTSPHK1
SCHEMBL10043250 0.94 CYP3A4 (0.35) S1PR1SGPL1GAAMAPTSPHK1
SCHEMBL10043093 0.91 OPRL1 (0.35) S1PR1SGPL1GAAMAPTSPHK1
SCHEMBL11114314 0.91 CYP3A4 (0.37) S1PR1SGPL1GAAMAPTSPHK1
SCHEMBL11114341 0.91 CYP3A4 (0.37) S1PR1SGPL1GAAMAPTSPHK1
SCHEMBL10043258 0.90 SPHK1 (0.38) S1PR1GAAMAPTSPHK1CYP2C9
SCHEMBL10043239 0.90 FFAR4 (0.33) GAAMAPT
SCHEMBL10043101 0.89 S1PR1 (0.31) S1PR1SGPL1
SCHEMBL15061084 0.89 HCRTR2 (0.33) S1PR1SGPL1SPHK1
SCHEMBL10043256 0.89 CYP2C9 (0.38) S1PR1SGPL1GAAMAPTSPHK1

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 S1PR1 1209/4885SGPL1 3248/4885GAA 4829/4885

“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.