SCHEMBL19796436

SCHEMBL19796436

C=CC(=O)OCCc1cc(CCC)ccc1-c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.47
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 2/20 0.36
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 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
THRA P10827 1/20 0.33
CYP3A4 P08684 1/20 0.33
APP P05067 1/20 0.33
MCL1 Q07820 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
VDR P11473 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
SCHEMBL19796375 0.96 THRB (0.49) THRBTSHRHPGDALOX5ALDH1A1
SCHEMBL19796379 0.93 THRB (0.48) THRBTSHRHPGDALOX5ALDH1A1
SCHEMBL19796441 0.93 THRB (0.48) THRBTSHRHPGDALOX5ALDH1A1
SCHEMBL19796432 0.89 THRB (0.48) THRBTSHRHPGDALOX5GABRA1
SCHEMBL19804295 0.88 FFAR4 (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19804021 0.86 FFAR4 (0.40) THRBTSHRHPGDALOX5ALDH1A1
SCHEMBL19796380 0.86 THRB (0.46) THRBTSHRHPGDALOX5ALDH1A1
SCHEMBL19796374 0.85 THRB (0.50) THRBTSHRHPGDALOX5THRA
SCHEMBL19796967 0.85 RARB (0.48) THRBTSHRHPGDTHRA
SCHEMBL19804587 0.85 THRB (0.42) THRBTSHRHPGDTP53APP

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.