SCHEMBL19804292

SCHEMBL19804292

C=CC(=O)OCCOc1cc(O)ccc1-c1ccc(CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
AKR1B10 O60218 6/20 0.41
AKR1B1 P15121 6/20 0.41
TSHR P16473 3/20 0.39
MET P08581 5/20 0.38
CA12 O43570 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL19796448 0.87 FFAR4 (0.43) THRBTSHRFFAR4ALDH1A1TP53
SCHEMBL19796442 0.86 THRB (0.47) THRBTSHRFFAR4ALDH1A1TP53
SCHEMBL19804294 0.84 THRB (0.42) THRBTSHRFFAR4
SCHEMBL19804596 0.82 FFAR4 (0.42) THRBTSHRFFAR4
SCHEMBL19796902 0.81 THRB (0.37) THRBTSHRFFAR4ALDH1A1
SCHEMBL19804569 0.80 FFAR4 (0.42) THRBTSHRFFAR4
SCHEMBL19796378 0.80 THRB (0.48) THRBTSHRFFAR4ALDH1A1TP53
SCHEMBL19804371 0.80 THRB (0.44) THRBTSHRFFAR4ALDH1A1TP53
SCHEMBL19801666 0.79 THRB (0.44) THRBALDH1A1
SCHEMBL19796433 0.79 THRB (0.46) THRBTSHRMETFFAR4ALDH1A1

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 4323/4885AKR1B10 2517/4885AKR1B1 2798/4885

“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.