SCHEMBL9906563

SCHEMBL9906563

C=CC(=O)OCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCOC(=O)C=C)ccc5c4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HGFAC Q04756 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
JAK1 P23458 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 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
SCHEMBL12242718 0.99 THRB (0.40) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12733745 0.99 KMT2A (0.42) THRBMAPTKMT2AMEN1TDP1
SCHEMBL18589712 0.92 KMT2A (0.52) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12242722 0.92 KMT2A (0.47) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12723891 0.91 MAPT (0.40) THRBMAPTALDH1A1TP53F2
SCHEMBL10308958 0.91 KMT2A (0.46) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12154254 0.90 KMT2A (0.48) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12242685 0.90 MAPT (0.39) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12242725 0.90 TDP1 (0.40) THRBMAPTKMT2AMEN1TDP1
SCHEMBL12225734 0.89 ADRB2 (0.41) THRBMAPTKMT2AMEN1TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9158053-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optically anisotropic body comprising the composition LG CHEM, LTD. (KR) 2015-10-13 US disclosed
US-9158053-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optically anisotropic body comprising the composition LG CHEM, LTD. (KR) 2015-10-13 US disclosed
US-9127104-B2 Polymerizable liquid crystal compound, a liquid crystal composition comprising the compound, and an optically anisotropic body LG CHEM, LTD. (KR) 2015-09-08 US disclosed
US-20150099820-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, A LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUND, AND AN OPTICALLY ANISOTROPIC BODY LG ELECTRONICS INC. (KR) 2015-04-09 US disclosed
US-20140034883-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION LG CHEM, LTD. (KR) 2014-02-06 US disclosed
US-8197710-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2012-06-12 US disclosed
US-7931825-B2 Polymerizable composition ADEKA CORPORATION (JP) 2011-04-26 US disclosed
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-11-25 US disclosed
US-20100090163-A1 POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-04-15 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 (2 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-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION PYM1, SCO2, ZYX THRB 1211/4885MAPT 2010/4885KMT2A 1150/4885
US-20150099820-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, A LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUND, AND AN OPTICALLY ANISOTROPIC BODY RCC1, NLK, MAP1LC3C THRB 4881/4885MAPT 12/4885KMT2A 2343/4885

“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.