SCHEMBL13614357

SCHEMBL13614357

CCCc1ccc(C2CCC(O)(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 1/20 0.38
FFAR4 Q5NUL3 3/20 0.36
DRD2 P14416 1/20 0.35
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RARB P10826 1/20 0.34
PPARD Q03181 1/20 0.34
MCHR1 Q99705 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL13614324 0.94 DRD2 (0.37) OPRM1OPRD1OPRK1OPRL1FFAR4
SCHEMBL13614363 0.87 DRD2 (0.42) OPRM1OPRD1OPRK1FFAR4DRD2
SCHEMBL13324157 0.83 DRD2 (0.39) DRD2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13614328 0.82 DRD2 (0.44) FFAR4DRD2RARB
SCHEMBL13614359 0.78 DRD2 (0.34) OPRM1OPRD1OPRK1FFAR4DRD2
SCHEMBL13614284 0.78 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL13614370 0.73 ESR2 (0.45) FFAR4CYP3A4CYP2C9RARBS1PR1
SCHEMBL13324153 0.73 DRD2 (0.44) DRD2
SCHEMBL13614326 0.73 DRD2 (0.36) OPRM1OPRD1OPRK1FFAR4DRD2
SCHEMBL13302730 0.72 ALOX5 (0.44) FFAR4CYP3A4CYP2D6CYP2C9RARB

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-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 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-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT CCNE2, CCNE1, CCNL2 OPRM1 1417/4885OPRD1 1141/4885OPRK1 594/4885

“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.