SCHEMBL19796482

SCHEMBL19796482

C=CC(=O)OCCc1cc(CCC)cc(CCOC(=O)C=C)c1-c1ccc(CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.48
TSHR P16473 4/20 0.38
HPGD P15428 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.34
THRA P10827 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
MET P08581 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL19796441 0.88 THRB (0.48) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19796379 0.88 THRB (0.48) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19624468 0.88 TSHR (0.40) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19796934 0.84 THRB (0.45) THRBTSHRHPGDALDH1A1THRA
SCHEMBL19796292 0.84 THRB (0.48) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19804319 0.84 THRB (0.38) THRBTSHRCYP4F2CYP4A11THRA
SCHEMBL19796440 0.82 THRB (0.49) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19796375 0.82 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19796380 0.82 THRB (0.46) THRBTSHRHPGDCYP4F2CYP4A11
SCHEMBL19796436 0.81 THRB (0.47) THRBTSHRHPGDALDH1A1TP53

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 2 patents. 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
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 4323/4885TSHR 4195/4885HPGD 4741/4885

“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.