SCHEMBL19796966

SCHEMBL19796966

C=CCCc1ccc(-c2ccc(-c3ccc(CCO)cc3)cc2)c(CCOC(=O)C=C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
THRB P10828 3/20 0.36
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 3/20 0.32
FFAR4 Q5NUL3 3/20 0.32
APP P05067 2/20 0.32
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
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CYP4F2 P78329 2/20 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
SCHEMBL19796379 0.87 THRB (0.48) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796441 0.87 THRB (0.48) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19804244 0.86 FFAR4 (0.41) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19804287 0.84 FFAR4 (0.41) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796757 0.81 RARB (0.32) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796380 0.81 THRB (0.46) TSHRTHRBALDH1A1METCYP4F2
SCHEMBL19804639 0.81 THRB (0.41) TSHRTHRBTP53FFAR1FFAR4
SCHEMBL19796436 0.80 THRB (0.47) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL19796843 0.80 THRB (0.37) TSHRTHRBFFAR1FFAR4CA12
SCHEMBL19803998 0.80 FFAR4 (0.40) TSHRTHRBALDH1A1TP53HIF1A

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 TSHR 4195/4885THRB 4323/4885ALDH1A1 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.