SCHEMBL10043129

SCHEMBL10043129

CCCCCc1ccc(C2CCC(c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)cc3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.37
SPHK1 Q9NYA1 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C9 P11712 1/20 0.33
CNR2 P34972 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
SCHEMBL10043276 1.00 OPRL1 (0.37) OPRL1SPHK1HTR2AHTR2CCYP2C9
SCHEMBL10043278 0.99 SPHK1 (0.38) OPRL1SPHK1
SCHEMBL10043130 0.99 SPHK1 (0.38) OPRL1SPHK1
SCHEMBL10043126 0.98 OPRL1 (0.37) OPRL1SPHK1HTR2AHTR2CCYP2C9
SCHEMBL10043275 0.98 OPRL1 (0.37) OPRL1SPHK1HTR2AHTR2CCYP2C9
SCHEMBL10043125 0.96 OPRL1 (0.37) OPRL1SPHK1HTR2AHTR2CCYP2C9
SCHEMBL10043274 0.96 OPRL1 (0.37) OPRL1SPHK1HTR2AHTR2CCYP2C9
SCHEMBL10043311 0.93 SPHK1 (0.41) SPHK1CYP2C9CNR2
SCHEMBL10043111 0.93 SPHK1 (0.41) SPHK1CYP2C9CNR2
SCHEMBL10043124 0.92 OPRL1 (0.37) OPRL1CYP2C9

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 OPRL1 2105/4885SPHK1 1060/4885HTR2A 856/4885

“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.