SCHEMBL19804648

SCHEMBL19804648

C=CC(=O)OCCOc1cc(C2CCC(C3CCCCC3)CC2)c(OCCOC(=O)C=C)cc1CCO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
PTGDR2 Q9Y5Y4 8/20 0.35
TSHR P16473 3/20 0.35
HTR2A P28223 2/20 0.34
SCN9A Q15858 5/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGDR Q13258 3/20 0.32
PTGER2 P43116 1/20 0.32
SCN5A Q14524 2/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL19804160 0.93 PTGDR2 (0.40) THRBPTGDR2TSHRHTR2AALDH1A1
SCHEMBL19796855 0.85 SCN9A (0.36) THRBTSHRHTR2ASCN9A
SCHEMBL19804649 0.83 THRB (0.38) THRBPTGDR2TSHRALDH1A1TP53
SCHEMBL19796399 0.81 SCN9A (0.38) THRBTSHRHTR2ASCN9A
SCHEMBL19804011 0.75 THRB (0.41) THRBPTGDR2TSHRALDH1A1TP53
SCHEMBL19940069 0.74 PTGDR2 (0.46) THRBPTGDR2TSHRALDH1A1TP53
SCHEMBL19804550 0.74 THRB (0.37) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19804488 0.74 THRB (0.38) THRBPTGDR2TSHRALDH1A1PTGDR
SCHEMBL19804479 0.73 SLC6A9 (0.35) THRBPTGDR2TSHRALDH1A1PTGDR
SCHEMBL19804767 0.73 THRB (0.43) THRBTSHR

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 4323/4885PTGDR2 2110/4885TSHR 4195/4885

“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.