Sugi Predict

Sugi Predict / Compounds / SCHEMBL12733720

SCHEMBL12733720

SCHEMBL12733720

C=CC(=O)OCOc1ccc(-c2ccc(-c3ccc(OCOC(=O)C=C)cc3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ APP P05067 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ FFAR4 Q5NUL3 6/20 0.35
▸ FFAR1 O14842 6/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 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
SCHEMBL12154154 0.89 THRB (0.42) THRBRARARARBFFAR4FFAR1
SCHEMBL14984618 0.88 THRB (0.40) THRBAPPCYP2C19FFAR4FFAR1
SCHEMBL14088550 0.87 THRB (0.48) THRBRARARARBAPPCYP2C19
SCHEMBL815645 0.86 THRB (0.47) THRBRARARARBFFAR4FFAR1
SCHEMBL12154282 0.85 TP53 (0.31) THRBRARARARBFYNFEN1
SCHEMBL11917942 0.84 THRB (0.53) THRBRARBCYP3A4
SCHEMBL14010385 0.83 THRB (0.46) THRB
SCHEMBL9607896 0.83 THRB (0.43) THRBAPPCYP2C19CYP3A4CYP2C9
SCHEMBL17754264 0.82 FFAR1 (0.34) THRBFFAR4FFAR1AKR1C3
SCHEMBL19917676 0.82 MEN1 (0.40) THRBRARARARBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073581-A1 MIXTURE THAT INCLUDES COMPOUND CONTAINING MESOGENIC GROUP DIC CORPORATION (JP) 2017-03-16 — — US disclosed
US-20170066967-A1 POLYMERIZABLE COMPOSITION COMPRISING COMPOUND HAVING MESOGENIC GROUP, AND POLYMER THEREOF DIC CORPORATION (JP) 2017-03-09 — — US disclosed
US-7919009-B2 Polymerizable compounds and polymerizable compositions ADEKA CORPORATION (JP) 2011-04-05 — — US disclosed
US-7910021-B2 Polymerizable optical active compound and polymerizable composition containing the same ADEKA CORPORATION (JP) 2011-03-22 — — US disclosed
US-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-02-11 — — US disclosed
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS ADEKA CORPORATION (JP) 2010-02-11 — — 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-20100032620-A1 POLYMERIZABLE OPTICAL ACTIVE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE SAME C1S, PYM1, MCCC2 THRB 3247/4885RARA 2388/4885RARB 3096/4885
US-20100032621-A1 POLYMERIZABLE COMPOUNDS AND POLYMERIZABLE COMPOSITIONS CHRM1, CHRM2, CCNE1 THRB 4880/4885RARA 4019/4885RARB 4300/4885

“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.