SCHEMBL13614370

SCHEMBL13614370

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.45
HSD17B1 P14061 1/20 0.43
ESR1 P03372 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
ALOX5 P09917 1/20 0.42
SPHK1 Q9NYA1 6/20 0.41
RARB P10826 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL13302730 0.94 ALOX5 (0.44) ESR2ESR1ALOX5SPHK1RARB
SCHEMBL19722295 0.85 SPHK1 (0.52) ESR1SPHK1RARBCYP3A4
SCHEMBL19721916 0.85 SPHK1 (0.52) ESR1SPHK1RARBCYP3A4
SCHEMBL13302726 0.84 ALOX5 (0.44) ESR2ESR1ALOX5SPHK1CYP3A4
SCHEMBL13614363 0.82 DRD2 (0.42) SPHK1RARBFFAR4
SCHEMBL12675076 0.81 ESR2 (0.58) ESR2ESR1ALOX5SPHK1CYP3A4
SCHEMBL13614328 0.81 DRD2 (0.44) SPHK1RARBFFAR4
SCHEMBL13614289 0.81 ESR2 (0.49) ESR2HSD17B1ESR1CYP3A4CYP2C9
SCHEMBL12769086 0.80 ESR2 (0.53) ESR2HSD17B1ESR1CYP3A4CYP2C9
SCHEMBL21811720 0.78 CNR1 (0.50) ESR2HSD17B1ESR1HCAR2ALOX5

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 ESR2 206/4885HSD17B1 1972/4885ESR1 117/4885

“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.