SCHEMBL12154233

SCHEMBL12154233

C=CC(=O)OCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAOB P27338 2/20 0.39
KMT2A Q03164 3/20 0.38
PPARA Q07869 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL17431004 0.93 KMT2A (0.39) CYP1A1CYP1B1MAOBKMT2APPARA
SCHEMBL12567648 0.93 KMT2A (0.39) CYP1A1CYP1B1MAOBKMT2APPARA
SCHEMBL14088579 0.89 THRB (0.42) CYP1A1CYP1B1MAOBPPARATHRB
SCHEMBL14088405 0.88 THRB (0.41) CYP1A1CYP1B1PPARATHRBALDH1A1
SCHEMBL13664617 0.86 MAOB (0.37) MAOBKMT2AMEN1MAPTKDM4E
SCHEMBL12154227 0.85 KMT2A (0.50) KMT2ATHRBMEN1MAPTKDM4E
SCHEMBL13664626 0.84 MAOB (0.35) CYP1A1CYP1B1MAOBTHRBKDM4E
SCHEMBL12154225 0.82 THRB (0.38) CYP1A1CYP1B1MAOBKMT2ATHRB
SCHEMBL16425410 0.82 KMT2A (0.50) MAOBKMT2AMEN1MAPTKDM4E
SCHEMBL12154228 0.82 KMT2A (0.50) MAOBKMT2AMEN1MAPTKDM4E

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-8048496-B2 Polymerizable liquid crystal compound, liquid crystal composition and polymer JNC CORPORATION (JP) 2011-11-01 US disclosed
US-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER CHISSO CORPORATION 2010-04-22 US disclosed
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed
US-7378135-B2 Polymerizable liquid crystal composition and optically anisotropic thin film CHISSO CORPORATION (JP) 2008-05-27 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-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER PKN1, ZYX, OXER1 CYP1A1 453/4885CYP1B1 279/4885MAOB 812/4885

“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.