SCHEMBL19796366

SCHEMBL19796366

C=C(C)C(=O)OCc1cc(CCCO)ccc1-c1ccc2cc(CCCCC)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.38
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RARA P10276 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARG P37231 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
SCHEMBL19796944 0.91 THRB (0.41) RARBTHRBTHRATSHRMEN1
SCHEMBL19804203 0.90 CYP1A2 (0.41) PTGESALOX5CYP4F2CYP4A11FFAR4
SCHEMBL19624680 0.89 MEN1 (0.43) RARBTHRBTHRAMEN1ALDH1A1
SCHEMBL19796271 0.88 THRB (0.38) RARBTHRBTHRAS1PR1S1PR3
SCHEMBL19796918 0.88 THRB (0.43) RARBTHRBTHRAS1PR1TSHR
SCHEMBL19796873 0.88 THRB (0.43) RARBTHRBTHRAS1PR1TSHR
SCHEMBL19796343 0.87 CYP4A11 (0.38) RARBTHRBTHRAALOX5PPARA
SCHEMBL19796414 0.87 CYP4A11 (0.38) RARBTHRBTHRAALOX5PPARA
SCHEMBL19796872 0.87 RARB (0.49) RARBTHRBTHRATSHRMEN1
SCHEMBL19796938 0.87 THRB (0.41) RARBTHRBTHRATSHRMEN1

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 3517/4885THRB 4323/4885THRA 4376/4885

“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.