SCHEMBL12433663

SCHEMBL12433663

CCCCCc1ccc(CCc2c(C)cc(C3CCC(CCC)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 15/20 0.39
SPHK2 Q9NRA0 7/20 0.35
OPRL1 P41146 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL12433788 0.91 SPHK1 (0.41) SPHK1SPHK2ITGB3ITGA2B
SCHEMBL12984463 0.91 OPRL1 (0.35) OPRL1
SCHEMBL14035159 0.86 OPRL1 (0.32) OPRL1
SCHEMBL12511069 0.81 CYP2C9 (0.39) SPHK1SPHK2OPRL1
SCHEMBL13980130 0.81 CYP2C9 (0.39) SPHK1SPHK2OPRL1
SCHEMBL12433674 0.81 OPRL1 (0.35) OPRL1
SCHEMBL13980127 0.80 SPHK1 (0.39) SPHK1SPHK2ITGB3ITGA2B
SCHEMBL13980197 0.80 THRA (0.41) SPHK1SPHK2
SCHEMBL12433707 0.78 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL9620704 0.77 OPRL1 (0.42) SPHK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
EP-1997867-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2008-12-03 EP 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 SPHK1 3548/4885SPHK2 3638/4885OPRL1 3037/4885

“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.