SCHEMBL13614294

SCHEMBL13614294

CCCC1CCC(C2CCC(O)(c3ccc(-c4ccc(OC)cc4)c(C)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 2/20 0.33
EDNRB P24530 3/20 0.33
EDNRA P25101 3/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
LMNA P02545 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL13614284 0.94 OPRM1 (0.36) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL10804953 0.85 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL10804940 0.85 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL10804943 0.85 OPRM1 (0.41) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL13614306 0.81 CYP3A4 (0.36) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL13614297 0.79 DRD2 (0.40) MEN1KMT2AMAPTLMNA
SCHEMBL22483930 0.78 SLC6A1 (0.41) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL13614324 0.78 DRD2 (0.37) OPRM1OPRK1OPRL1OPRD1
SCHEMBL13614287 0.77 CYP2C9 (0.41) MEN1KMT2AMCHR1MAPTLMNA
SCHEMBL10893278 0.76 OPRL1 (0.44) OPRM1OPRK1OPRL1OPRD1MEN1

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 1417/4885OPRK1 594/4885OPRL1 1993/4885

“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.