SCHEMBL19796433

SCHEMBL19796433

C=CC(=O)OCCOc1cc(CCC)ccc1-c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.46
TSHR P16473 4/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX5 P09917 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19796378 0.96 THRB (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19796442 0.93 THRB (0.47) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19796445 0.91 THRB (0.48) THRBTSHRHPGDALDH1A1CNR2
SCHEMBL19804130 0.88 FFAR4 (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19804371 0.87 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19796892 0.85 THRB (0.50) THRBTSHRHPGDALDH1A1PTPN1
SCHEMBL19796438 0.85 THRB (0.57) THRBALDH1A1GABRA1GABRB2CNR2
SCHEMBL19796420 0.85 THRB (0.38) THRBTSHRALDH1A1GABRA1GABRB2
SCHEMBL19796436 0.84 THRB (0.47) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19804271 0.83 THRB (0.52) THRBALDH1A1FFAR4SMN1; SMN2

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.