SCHEMBL19796887

SCHEMBL19796887

C=C(C)C(=O)OCc1cc(-c2ccc(CCCCC)cc2F)ccc1-c1ccc(CCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.49
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
S1PR1 P21453 3/20 0.36
FFAR4 Q5NUL3 5/20 0.36
S1PR3 Q99500 2/20 0.36
FAAH O00519 1/20 0.35
PTGS2 P35354 1/20 0.35
MPL P40238 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
SCHEMBL19796958 0.95 RARB (0.51) RARBRARARARGTHRATHRB
SCHEMBL19796789 0.90 RARB (0.50) RARBRARARARGTHRATHRB
SCHEMBL19797076 0.89 RARB (0.49) RARBRARARARGTHRATHRB
SCHEMBL19797115 0.89 RARB (0.49) RARBRARARARGTHRATHRB
SCHEMBL19796883 0.88 RARB (0.45) RARBRARAS1PR1FFAR4S1PR3
SCHEMBL17070430 0.87 RARB (0.47) RARBRARARARGTHRATHRB
SCHEMBL19804619 0.87 ALDH1A1 (0.42) RARBFFAR4
SCHEMBL19796437 0.87 RARB (0.38) RARBRARARARGTHRATHRB
SCHEMBL19801672 0.87 FFAR4 (0.41) RARBS1PR1FFAR4
SCHEMBL19796860 0.86 RARB (0.47) RARBRARARARGTHRATHRB

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 RARB 3517/4885RARA 3585/4885RARG 3736/4885

“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.