SCHEMBL816893

SCHEMBL816893

Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(C)c(C)c3C)c(C)c2C)c(C)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
POLB P06746 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTGES O14684 1/20 0.47
PTPN1 P18031 1/20 0.47
IDO1 P14902 2/20 0.44
SLC37A4 O43826 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G2A P14555 2/20 0.33

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
SCHEMBL815636 1.00 CYP3A4 (0.52) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL815880 0.88 CYP3A4 (0.44) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL815978 0.88 CYP3A4 (0.44) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL815857 0.80 CYP3A4 (0.41) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL816294 0.79 CYP3A4 (0.40) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL27968651 0.78 POLB (0.43) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL984615 0.76 CYP3A4 (0.43) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL18621795 0.76 CYP3A4 (0.70) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL29266098 0.75 POLB (0.82) CYP3A4POLBKMT2AMAPTMEN1
SCHEMBL18621792 0.74 CYP3A4 (0.87) CYP3A4POLBKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475991-B2 Polymerizable liquid crystal composition, polarized light-emitting coating material, novel naphtholactam derivative novel coumarin derivative, novel nile red derivative, and novel anthracene derivative ADEKA CORPORATION (JP) 2016-10-25 US disclosed
US-8663497-B2 Liquid crystal composition comprising polymerizable compound, and liquid crystal display element using said liquid crystal composition ADEKA CORPORATION (JP) 2014-03-04 US disclosed
US-20130334461-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE ADEKA CORPORATION (JP) 2013-12-19 US disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8283000-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display using the liquid crystal composition ADEKA CORPORATION (JP) 2012-10-09 US disclosed
US-20120200794-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2012-08-09 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
US-20100328601-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY USING THE LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2010-12-30 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 CYP3A4 124/4885POLB 2732/4885KMT2A 3009/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A CYP3A4 920/4885POLB 792/4885KMT2A 1215/4885

“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.