SCHEMBL10043091

SCHEMBL10043091

CCCCCCC1CCC(C2CCC(c3ccc(C4CCC(C5CCC(CC)CC5)CC4)c(F)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.39
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 3/20 0.35
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 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
SCHEMBL872075 0.99 OPRL1 (0.39) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL871978 0.99 OPRL1 (0.39) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL731280 0.99 OPRL1 (0.39) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL872074 0.99 OPRL1 (0.39) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043070 0.99 OPRL1 (0.39) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043509 0.96 OPRL1 (0.41) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043092 0.96 OPRL1 (0.41) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043467 0.95 OPRL1 (0.40) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043436 0.95 OPRL1 (0.40) OPRL1GAAMAPTSPHK1CYP2C9
SCHEMBL10043090 0.95 OPRL1 (0.41) OPRL1GAAMAPTSPHK1CYP2C9

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 2105/4885GAA 4829/4885MAPT 667/4885

“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.