SCHEMBL19796971

SCHEMBL19796971

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccc(CO)cc3)c(F)c2)ccc1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.46
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
TSHR P16473 3/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
RORC P51449 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL19796467 0.91 THRB (0.40) RARBRARARARGTHRBTHRA
SCHEMBL19796571 0.91 RARB (0.48) RARBRARARARGTHRBTHRA
SCHEMBL19797076 0.90 RARB (0.49) RARBRARARARGTHRBTHRA
SCHEMBL19797115 0.90 RARB (0.49) RARBRARARARGTHRBTHRA
SCHEMBL19796483 0.90 RARB (0.49) RARBRARARARGTHRBTHRA
SCHEMBL19796978 0.90 RARB (0.49) RARBRARARARGTHRBTHRA
SCHEMBL19796988 0.90 RARB (0.49) RARBRARARARGTHRBTHRA
SCHEMBL19796531 0.90 RARB (0.48) RARBRARARARGTHRBTHRA
SCHEMBL19796567 0.90 RARB (0.46) RARBRARARARGTHRBTHRA
SCHEMBL19796486 0.89 RARB (0.47) RARBRARARARGTHRBTHRA

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.