SCHEMBL17754254

SCHEMBL17754254

C=CC(=O)OCOc1ccc(-c2ccc(OC(=O)CCc3ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.35
THRB P10828 2/20 0.33
FFAR1 O14842 2/20 0.32
PPARD Q03181 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL17754264 0.91 FFAR1 (0.34) AKR1C3THRBFFAR1
SCHEMBL15582416 0.89 THRB (0.38) AKR1C3THRBFFAR1PPARD
SCHEMBL17754249 0.87 THRB (0.43) AKR1C3THRB
SCHEMBL17754262 0.85 THRB (0.39) AKR1C3THRB
SCHEMBL16803374 0.84 THRB (0.42) AKR1C3THRB
SCHEMBL20174160 0.82 THRB (0.42) AKR1C3THRBFFAR1
SCHEMBL21556855 0.80 KMT2A (0.42) AKR1C3THRBFFAR1
SCHEMBL18541166 0.80 THRB (0.39) AKR1C3THRB
SCHEMBL20105023 0.80 FFAR1 (0.41) AKR1C3THRBFFAR1PPARD
SCHEMBL17754252 0.80 FFAR4 (0.35) AKR1C3THRBFFAR1

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 AKR1C3 2593/4885THRB 4879/4885FFAR1 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.