SCHEMBL17754269

SCHEMBL17754269

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 4/20 0.38
APP P05067 2/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
CA4 P22748 4/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL17719434 0.87 THRB (0.43) THRBFFAR4FFAR1APPS1PR1
SCHEMBL17754285 0.87 PRKAB2 (0.42) THRBFFAR4FFAR1APPS1PR1
SCHEMBL9607903 0.81 THRB (0.44) THRBAPPCA1CA2CYP2C19
SCHEMBL20672254 0.80 THRB (0.38) THRBFFAR4FFAR1APPS1PR1
SCHEMBL9607850 0.80 THRB (0.43) THRBAPPCYP2C19AKR1C3AKR1C2
SCHEMBL20998248 0.80 MAOB (0.42) THRBFFAR4APPCA12CA1
SCHEMBL19224830 0.79 THRB (0.36) THRBFFAR4FFAR1APPS1PR1
SCHEMBL18773562 0.78 CYP2C19 (0.53) THRBAPPCYP2C19AKR1C3AKR1C2
SCHEMBL20344357 0.78 APP (0.41) THRBFFAR1APPCYP2C19AKR1C3
SCHEMBL15704411 0.77 THRB (0.44) THRBFFAR4FFAR1AKR1C3AKR1C2

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 1 patent. 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

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 THRB 4879/4885FFAR4 1131/4885FFAR1 1525/4885

“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.