SCHEMBL13614374

SCHEMBL13614374

C=CC(=O)Oc1ccc(OCOc2ccc(CCCC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.78
THRA P10827 8/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13614369 0.96 THRB (0.86) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL13614376 0.94 THRB (0.84) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL1401854 0.93 THRB (0.91) THRBTHRAMEN1KMT2AHPGD
SCHEMBL823056 0.88 THRB (0.83) THRBTHRAMEN1KMT2AHPGD
SCHEMBL11031162 0.88 THRB (1.00) THRBTHRAMEN1KMT2AHPGD
SCHEMBL74263 0.87 THRB (0.76) THRBTHRAMEN1KMT2AHPGD
SCHEMBL6931228 0.87 THRB (0.97) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL2289080 0.87 THRB (0.97) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL4475071 0.87 THRB (0.97) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL28432245 0.87 THRB (0.97) THRBTHRAMEN1KMT2AALDH1A1

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 6 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-7442418-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2008-10-28 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
US-7371438-B2 Polymerizable liquid crystal compound, liquid crystal composition and optical anisotropic material ASAHI GLASS COMPANY, LIMITED (JP) 2008-05-13 US disclosed
US-20070102669-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC MATERIAL ASAHI GLASS COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-20070104894-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS CO., LTD. (JP) 2007-05-10 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 1589/4885THRA 1026/4885MEN1 2225/4885

“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.