SCHEMBL13614333

SCHEMBL13614333

C=CC(=O)Oc1ccc(C2CCC(c3ccc(-c4ccc(CCC)cc4)c(C)c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.57
FFAR4 Q5NUL3 5/20 0.41
RARB P10826 1/20 0.39
S1PR1 P21453 4/20 0.36
S1PR5 Q9H228 4/20 0.36
S1PR3 Q99500 3/20 0.36
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
SPHK1 Q9NYA1 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL12769122 0.90 THRB (0.45) THRBFFAR4RARBS1PR1S1PR5
SCHEMBL12974276 0.88 FFAR4 (0.43) THRBFFAR4RARBS1PR1S1PR5
SCHEMBL12386499 0.87 THRB (0.76) THRBSPHK1NPC1MAPTCASP3
SCHEMBL12386502 0.86 RARB (0.47) THRBFFAR4RARBS1PR1S1PR5
SCHEMBL13614299 0.84 CYP2C9 (0.41) THRBS1PR1S1PR5MMP2MMP3
SCHEMBL13614328 0.82 DRD2 (0.44) FFAR4RARBSPHK1
SCHEMBL13302730 0.80 ALOX5 (0.44) FFAR4RARBSPHK1
SCHEMBL13614290 0.80 CYP2C9 (0.43) THRBFFAR4S1PR1S1PR5MMP2
SCHEMBL12386509 0.79 RARB (0.43) THRBFFAR4RARBS1PR1S1PR5
SCHEMBL13614363 0.79 DRD2 (0.42) FFAR4RARBSPHK1

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-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

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 THRB 1589/4885FFAR4 2244/4885RARB 2355/4885

“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.