SCHEMBL13614364

SCHEMBL13614364

C=CC(=O)Oc1ccc(C2CCC(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.44
CHRNA7 P36544 1/20 0.40
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC18A3 Q16572 1/20 0.37
TGM2 P21980 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
SCHEMBL14588427 0.88 ESR2 (0.50) THRBESR2MAPTALDH1A1KMT2A
SCHEMBL14538449 0.86 NPC1 (0.45) THRBLMNAALDH1A1KDM4ESLC18A3
SCHEMBL39792 0.85 THRB (0.59) THRBLMNAALDH1A1KMT2ACYP1A2
SCHEMBL18511951 0.84 THRB (0.43) THRBESR2KMT2ATDP1CYP2C9
SCHEMBL2582818 0.84 THRB (0.45) THRBMAPTALDH1A1KDM4EMEN1
SCHEMBL12386504 0.84 ESR2 (0.46) THRBESR2ALDH1A1MEN1KMT2A
SCHEMBL15397337 0.84 THRB (0.50) THRBLMNAESR2MAPTALDH1A1
SCHEMBL10000354 0.84 ESR2 (0.46) THRBESR2MAPTALDH1A1KMT2A
SCHEMBL19621913 0.83 THRB (0.42) THRBESR2MAPTKMT2ATDP1
Hydrochloric Acid SCHEMBL19749007 0.83 THRB (0.58) THRBLMNAALDH1A1KMT2ACYP1A2

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 1589/4885LMNA 828/4885CHRNA7 2475/4885

“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.