SCHEMBL18252152

SCHEMBL18252152

CCCCCc1ccc(C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.39
CYP2C9 P11712 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL18032097 0.91 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL18252140 0.84 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL12624263 0.84 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL12622673 0.83 GRM2 (0.33) CYP2C9
SCHEMBL12622667 0.83 OPRL1 (0.34)
SCHEMBL12622386 0.82 GRM2 (0.34)
SCHEMBL18251932 0.82 FFAR4 (0.34)
SCHEMBL12622773 0.81 OPRL1 (0.35)
SCHEMBL12622882 0.81 OPRL1 (0.35)
SCHEMBL18251914 0.81 SPHK1 (0.42) SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777219-B2 Liquid crystal compound having tetracycle, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-03 US disclosed
US-9777219-B2 Liquid crystal compound having tetracycle, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-03 US disclosed
US-20160340584-A1 LIQUID CRYSTAL COMPOUND HAVING TETRACYCLE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-11-24 US disclosed
US-20160340584-A1 LIQUID CRYSTAL COMPOUND HAVING TETRACYCLE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-11-24 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-20160340584-A1 LIQUID CRYSTAL COMPOUND HAVING TETRACYCLE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, CALCOCO2, ZKSCAN2 SPHK1 3033/4885SPHK2 2802/4885CYP2C9 1782/4885

“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.