SCHEMBL19797101

SCHEMBL19797101

C=CC(=O)OCCOc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1-c1ccc(CCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.37
SPHK1 Q9NYA1 6/20 0.36
FFAR4 Q5NUL3 2/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
THRA P10827 4/20 0.32
RARB P10826 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL19797126 0.97 THRB (0.39) THRBSPHK1FFAR4PPARGPPARA
SCHEMBL19796897 0.93 THRB (0.38) THRBSPHK1FFAR4PPARGPPARA
SCHEMBL19797112 0.93 SPHK1 (0.38) THRBSPHK1FFAR4
SCHEMBL19796839 0.93 SPHK1 (0.37) THRBSPHK1FFAR4PPARGPPARA
SCHEMBL19797102 0.91 THRB (0.38) THRBFFAR4PPARGPPARARARB
SCHEMBL19796899 0.88 THRB (0.39) THRBFFAR4PPARGPPARARARB
SCHEMBL19796835 0.88 SPHK1 (0.36) THRBSPHK1FFAR4PPARGPPARA
SCHEMBL19796834 0.87 THRB (0.36) THRBSPHK1FFAR4PPARGPPARA
SCHEMBL19804802 0.87 FFAR4 (0.40) THRBFFAR4PPARGPPARA
SCHEMBL19796842 0.85 RAB9A (0.38) THRBFFAR4PPARGPPARA

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 4323/4885SPHK1 608/4885FFAR4 1715/4885

“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.