SCHEMBL17754264

SCHEMBL17754264

C=CC(=O)OCOc1ccc(-c2ccc(-c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c4)cc3)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.34
THRB P10828 3/20 0.33
FFAR4 Q5NUL3 4/20 0.33
AKR1C3 P42330 4/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31

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
SCHEMBL17754254 0.91 AKR1C3 (0.35) FFAR1THRBAKR1C3
SCHEMBL15582416 0.88 THRB (0.38) FFAR1THRBAKR1C3KMT2AMAPT
SCHEMBL17754249 0.88 THRB (0.43) THRBAKR1C3KMT2AMAPT
SCHEMBL17754262 0.86 THRB (0.39) THRBFFAR4AKR1C3KMT2AMAPT
SCHEMBL17754252 0.86 FFAR4 (0.35) FFAR1THRBFFAR4AKR1C3KMT2A
SCHEMBL17719440 0.86 THRB (0.40) FFAR1THRBFFAR4AKR1C3KMT2A
SCHEMBL12733720 0.82 THRB (0.40) FFAR1THRBFFAR4AKR1C3
SCHEMBL15582417 0.81 THRB (0.49) FFAR1THRBFFAR4KMT2AMAPT
SCHEMBL18541172 0.80 THRB (0.37) FFAR1THRBFFAR4AKR1C3KMT2A
SCHEMBL17754246 0.80 THRB (0.37) FFAR1THRBFFAR4AKR1C3KMT2A

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

“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.