SCHEMBL19796944

SCHEMBL19796944

C=C(C)C(=O)OCc1cc(CCCCC)ccc1-c1ccc(-c2ccc(CCCO)cc2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
RARB P10826 10/20 0.41
RARA P10276 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
RARG P13631 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
TSHR P16473 2/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL19796938 0.96 THRB (0.41) THRBTHRARARBRARAALDH1A1
SCHEMBL19796873 0.93 THRB (0.43) THRBTHRARARBRARAALDH1A1
SCHEMBL19796918 0.93 THRB (0.43) THRBTHRARARBRARAALDH1A1
SCHEMBL19796872 0.92 RARB (0.49) THRBTHRARARBRARAALDH1A1
SCHEMBL19796592 0.91 RARB (0.39) THRBTHRARARBRARAALDH1A1
SCHEMBL19796366 0.91 RARB (0.38) THRBTHRARARBRARAALDH1A1
SCHEMBL19796792 0.91 THRB (0.40) THRBTHRARARBRARAALDH1A1
SCHEMBL19796573 0.91 THRB (0.40) THRBTHRARARBRARAALDH1A1
SCHEMBL19796414 0.91 CYP4A11 (0.38) THRBTHRARARBFFAR4
SCHEMBL19796343 0.91 CYP4A11 (0.38) THRBTHRARARBFFAR4

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 THRB 4323/4885THRA 4376/4885RARB 3517/4885

“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.