SCHEMBL12567643

SCHEMBL12567643

C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(OCOC(=O)C=C)cc3)c(C(F)(F)F)c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
AKR1C3 P42330 7/20 0.35
SYK P43405 1/20 0.33
AKR1C2 P52895 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 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
SCHEMBL12110790 0.93 THRB (0.40) THRBAKR1C3AKR1C2ADRB2ADRB1
SCHEMBL14185457 0.91 THRB (0.39) THRBAKR1C3SYKAKR1C2ADRB2
SCHEMBL14088569 0.90 THRB (0.40) THRBAKR1C3PPARGPPARDPPARA
SCHEMBL13560674 0.90 THRB (0.46) THRBAKR1C3AKR1C2ADRB2ADRB1
SCHEMBL14088570 0.89 THRB (0.40) THRBAKR1C3PPARGPPARDPPARA
SCHEMBL12567642 0.85 THRB (0.34) THRBADRB2ADRB1
SCHEMBL12154229 0.83 THRB (0.42) THRBAKR1C3AKR1C2PPARGFFAR1
SCHEMBL14588364 0.82 THRB (0.44) THRBAKR1C3PPARGPPARAFFAR1
SCHEMBL14088407 0.82 THRB (0.43) THRBAKR1C3PPARGFFAR1
SCHEMBL5961815 0.82 THRB (0.33) THRBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9541690-B2 Film using polymerizable liquid crystal composition containing peeling preventive agent JNC CORPORATION (JP) 2017-01-10 US disclosed
US-20140308462-A1 FILM USING POLYMERIZABLE LIQUID CRYSTAL COMPOSITION CONTAINING PEELING PREVENTIVE AGENT JNC PETROCHEMICAL CORPORATION (JP) 2014-10-16 US disclosed
US-20140049738-A1 THREE-DIMENSIONAL IMAGE DISPLAY APPARATUS JNC PETROCHEMICAL CORPORATION (JP) 2014-02-20 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-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER CHISSO CORPORATION (JP) 2011-06-23 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-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER SSB, LEF1, UACA THRB 4550/4885AKR1C3 1983/4885SYK 192/4885

“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.