SCHEMBL13614289

SCHEMBL13614289

CCCC1CCC(C2CCC(c3ccc(-c4ccc(O)cc4C)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.49
CYP2C9 P11712 3/20 0.46
ESR1 P03372 9/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.41
HSD17B1 P14061 1/20 0.41
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL13614298 0.93 ESR2 (0.49) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL9399882 0.86 CYP2C9 (0.50) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL13614287 0.83 CYP2C9 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8370026 0.83 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL8370024 0.83 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL5116401 0.83 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL13614370 0.81 ESR2 (0.45) ESR2CYP2C9ESR1CYP3A4HSD17B1
SCHEMBL13614297 0.81 DRD2 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7883772 0.80 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1
SCHEMBL5180121 0.80 ESR2 (0.65) ESR2CYP2C9ESR1CYP3A4ALDH1A1

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 206/4885CYP2C9 1998/4885ESR1 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.