SCHEMBL19804649

SCHEMBL19804649

C=CC(=O)OCCOc1cc(CCO)cc(OCCOC(=O)C=C)c1C1CCC(C2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19804011 0.93 THRB (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19796856 0.84 TSHR (0.36) THRBTSHR
SCHEMBL19804648 0.83 THRB (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19796401 0.80 TSHR (0.39) THRBTSHR
SCHEMBL19804569 0.75 FFAR4 (0.42) THRBTSHRPTGDR2CYP3A4KDM4E
SCHEMBL19804802 0.75 FFAR4 (0.40) THRBTSHRCYP3A4
SCHEMBL19804160 0.75 PTGDR2 (0.40) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19804767 0.74 THRB (0.43) THRBTSHRCYP3A4
SCHEMBL19804765 0.74 FFAR4 (0.36) THRBTSHRALDH1A1
SCHEMBL19804596 0.73 FFAR4 (0.42) THRBTSHRCYP3A4KDM4ELMNA

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 4323/4885TSHR 4195/4885ALDH1A1 2472/4885

“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.