SCHEMBL17754252

SCHEMBL17754252

C=CC(=O)OCOc1ccc2cc(-c3ccc(-c4ccc(OC(=O)CCc5ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c5)cc4)c(F)c3F)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
THRB P10828 2/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 8/20 0.32
FFAR1 O14842 2/20 0.31
PDE6D O43924 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
SCHEMBL17754262 0.90 THRB (0.39) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL17461512 0.86 THRB (0.39) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL17754249 0.86 THRB (0.43) THRBKMT2AMAPTAKR1C3
SCHEMBL17754264 0.86 FFAR1 (0.34) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL15582416 0.81 THRB (0.38) THRBKMT2AMAPTAKR1C3FFAR1
SCHEMBL17754254 0.80 AKR1C3 (0.35) THRBAKR1C3FFAR1
SCHEMBL18541174 0.77 THRB (0.39) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL12154247 0.77 THRB (0.48) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL12375052 0.77 THRB (0.40) FFAR4THRBKMT2AMAPTAKR1C3
SCHEMBL15582417 0.76 THRB (0.49) FFAR4THRBKMT2AMAPTFFAR1

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 FFAR4 1131/4885THRB 4879/4885KMT2A 2308/4885

“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.