SCHEMBL17754285

SCHEMBL17754285

C=CC(=O)Oc1ccc(-c2ccc(OCCO)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.42
PRKAG1 P54619 3/20 0.42
PRKAA2 P54646 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
THRB P10828 2/20 0.41
FFAR4 Q5NUL3 5/20 0.41
FFAR1 O14842 4/20 0.41
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA9 Q16790 3/20 0.38
APP P05067 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL17719434 0.92 THRB (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9607903 0.89 THRB (0.44) THRBCA1CA2APPCYP2C19
SCHEMBL9607850 0.87 THRB (0.43) THRBAPPCYP2C19TSHR
SCHEMBL20998248 0.87 MAOB (0.42) THRBFFAR4GAACA12CA1
SCHEMBL17754269 0.87 THRB (0.39) THRBFFAR4FFAR1CA12CA1
SCHEMBL20672254 0.85 THRB (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19224830 0.84 THRB (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21558862 0.84 THRB (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2604649 0.83 FFAR4 (0.41) THRBFFAR4CA1CA2APP
SCHEMBL18472419 0.83 PTGS1 (0.46) THRBAPPCYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 PRKAB2 2693/4885PRKAG1 2998/4885PRKAA2 3528/4885

“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.