SCHEMBL13614306

SCHEMBL13614306

CCCC1CCC(C2CCC(O)(c3ccc(-c4ccc(OC)cc4)cc3C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PDK2 Q15119 1/20 0.34
MAPT P10636 1/20 0.34
GRIN2B Q13224 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRK1 P41145 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
OPRD1 P41143 2/20 0.32
OPRL1 P41146 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13614294 0.81 OPRM1 (0.37) MAPTLMNAOPRM1OPRK1OPRD1
SCHEMBL10804943 0.80 OPRM1 (0.41) MAPTLMNATSHROPRM1OPRK1
SCHEMBL10804953 0.80 OPRM1 (0.41) MAPTLMNATSHROPRM1OPRK1
SCHEMBL10804940 0.80 OPRM1 (0.41) MAPTLMNATSHROPRM1OPRK1
SCHEMBL13614284 0.79 OPRM1 (0.36) OPRM1OPRK1OPRD1OPRL1KMT2A
SCHEMBL13614313 0.78 OPRL1 (0.38) MAPTCNR1CNR2LMNAHPGD
SCHEMBL31734152 0.75 OPRM1 (0.34) OPRM1OPRK1OPRL1
SCHEMBL12769098 0.75 DRD2 (0.36) CYP3A4MAPTGRIN2BTSHRKMT2A
SCHEMBL17916368 0.72 OPRM1 (0.30) OPRM1OPRK1OPRL1
SCHEMBL13614310 0.72 MAPT (0.33) CYP3A4MAPTCNR1CNR2NPC1

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 CYP3A4 2101/4885PDK2 665/4885MAPT 952/4885

“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.