SCHEMBL12154239

SCHEMBL12154239

C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3F)c(C)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PPARD Q03181 1/20 0.33
MEN1 O00255 1/20 0.32
LSS P48449 1/20 0.32
KMT2A Q03164 1/20 0.32
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32

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
SCHEMBL12154248 0.88 MAOB (0.39) MAOBMAOATHRBPARP10KMT2A
SCHEMBL13289955 0.87 MAOB (0.35) MAOBMAOATHRBPARP14PARP10
SCHEMBL13289965 0.87 POLB (0.45) MAOBMAOAMAPTPOLBTHRB
SCHEMBL12154246 0.87 ESR1 (0.43) MAOBMAOAMAPTPOLBTHRB
SCHEMBL12567654 0.86 MAOB (0.35) MAOBMAOATHRBPARP14PARP10
SCHEMBL16657456 0.85 MAOB (0.40) MAOBMAOAMAPTPOLBPARP14
SCHEMBL12154240 0.84 ALDH1A1 (0.38) MAOBMAOAPOLBTHRBPARP14
SCHEMBL16657518 0.83 FFAR1 (0.38) MAOBPPARD
SCHEMBL9906564 0.83 MAPT (0.38) MAPTPOLBTHRBMEN1KMT2A
SCHEMBL5961814 0.83 ALDH1A1 (0.33) MAOBMAOAPARP14PARP10CYP1A2

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-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-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-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 US disclosed
US-8048496-B2 Polymerizable liquid crystal compound, liquid crystal composition and polymer JNC CORPORATION (JP) 2011-11-01 US disclosed
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER CHISSO CORPORATION (JP) 2011-06-23 US disclosed
US-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER CHISSO CORPORATION 2010-04-22 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-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER PKN1, ZYX, OXER1 MAOB 812/4885MAOA 1441/4885MAPT 2557/4885
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER SSB, LEF1, UACA MAOB 1225/4885MAOA 1443/4885MAPT 12/4885

“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.