SCHEMBL13829007

SCHEMBL13829007

C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3F)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
MAOA P21397 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
ELANE P08246 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL11986151 0.92 MAPT (0.41) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL16746160 0.92 MAOB (0.38) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL12242783 0.90 HTT (0.43) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL11986129 0.90 MAOB (0.37) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL16657456 0.89 MAOB (0.40) MAOBMAOAPOLBPARP10PARP14
SCHEMBL13828984 0.89 POLB (0.45) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL13828884 0.88 POLB (0.53) MAOBMAOAKMT2APOLBAPEX1
SCHEMBL13829066 0.88 POLB (0.50) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL11986117 0.87 MAOB (0.36) MAOBMAOAPOLBAPEX1HTT
SCHEMBL11986088 0.87 HIF1A (0.38) MAOBMAOAPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505980-B2 Polymerizable liquid crystal composition and optically anisotropic substance having twist alignment JNC CORPORATION (JP) 2016-11-29 US disclosed
US-9399736-B2 Optically anisotropic substance and liquid crystal display JNC CORPORATION (JP) 2016-07-26 US disclosed
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-9150786-B2 Polymerizable monomer compound, liquid crystal composition, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-10-06 US disclosed
US-20150146156-A1 OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY JNC CORPORATION (JP) 2015-05-28 US disclosed
US-20150108401-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC SUBSTANCE HAVING TWIST ALIGNMENT JNC CORPORATION (JP) 2015-04-23 US disclosed
US-20120286201-A1 POLYMERIZABLE MONOMER COMPUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-15 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 (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-20120286201-A1 POLYMERIZABLE MONOMER COMPUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE MBD2, CCND1, MBTD1 MAOB 3511/4885MAOA 4325/4885KMT2A 1145/4885

“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.