SCHEMBL13614295

SCHEMBL13614295

CCCC1CCC(C2CC=C(c3ccc(-c4ccc(OC)cc4)c(C)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.37
MMP3 P08254 7/20 0.37
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 1/20 0.33
ESR2 Q92731 1/20 0.31
MCHR1 Q99705 2/20 0.30
CRHR1 P34998 1/20 0.30
TLR4 O00206 2/20 0.30

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
SCHEMBL13614286 0.95 MMP2 (0.36) MMP2MMP3NPC1CASP3RAB9A
SCHEMBL13614310 0.92 MAPT (0.33) MMP2MMP3NPC1CASP3RAB9A
SCHEMBL10806975 0.89 NPC1 (0.40) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10806983 0.89 NPC1 (0.40) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL23618038 0.82 CASP3 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL22483694 0.81 CASP3 (0.35) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10896353 0.80 TLR4 (0.41) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10896345 0.80 TLR4 (0.41) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10892869 0.79 ESR2 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10892864 0.79 ESR2 (0.36) NPC1CASP3RAB9ASENP8NLRP3

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 MMP2 3774/4885MMP3 4040/4885NPC1 3578/4885

“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.