SCHEMBL20322936

SCHEMBL20322936

C=C(CO)C(=O)OCOc1cc(OCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(C4CCC(CCCCC(F)(F)F)CC4)cc3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.33
▸ DGAT1 O75907 6/20 0.33
▸ SOAT1 P35610 2/20 0.33
▸ MGAT2 Q10469 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ CYP2C9 P11712 2/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL20322948 0.97 ESR2 (0.32) ESR2DGAT1SOAT1MGAT2FFAR4
SCHEMBL19856164 0.96 ESR2 (0.33) ESR2DGAT1SOAT1MGAT2CYP2C9
SCHEMBL23635485 0.94 ESR2 (0.32) ESR2DGAT1SOAT1MGAT2
SCHEMBL20322685 0.93 DGAT1 (0.34) ESR2DGAT1SOAT1FFAR4P2RY14
SCHEMBL19855363 0.93 MGAT2 (0.34) ESR2DGAT1SOAT1MGAT2FFAR4
SCHEMBL20322668 0.91 FFAR4 (0.34) DGAT1MGAT2FFAR4CYP2C9CYP3A4
SCHEMBL20407341 0.89 — —
SCHEMBL20407647 0.89 MGAT2 (0.35) DGAT1SOAT1MGAT2FFAR4P2RY14
SCHEMBL20322626 0.89 FFAR4 (0.33) FFAR4
SCHEMBL20313619 0.89 CYP2C9 (0.38) ESR2DGAT1SOAT1P2RY14CYP2C9

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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 ESR2 1953/4885DGAT1 2150/4885SOAT1 1732/4885

“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.

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