SCHEMBL19796444

SCHEMBL19796444

C=CC(=O)OCc1cc(CCC)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
FFAR1 O14842 8/20 0.41
FFAR4 Q5NUL3 8/20 0.41
ALDH1A1 P00352 2/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
PTPN11 Q06124 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36

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
SCHEMBL19796440 0.89 THRB (0.49) THRBFFAR1FFAR4
SCHEMBL19796432 0.89 THRB (0.48) THRBFFAR1FFAR4
SCHEMBL19796454 0.88 FFAR1 (0.39) THRBFFAR1FFAR4ALDH1A1SLC5A1
SCHEMBL19796450 0.88 THRB (0.44) THRBFFAR1FFAR4
SCHEMBL19796898 0.87 THRB (0.52) THRBFFAR1FFAR4ALDH1A1PTPN11
SCHEMBL19796374 0.85 THRB (0.50) THRBFFAR1FFAR4MEN1KMT2A
SCHEMBL19796416 0.85 ALDH1A1 (0.42) FFAR1FFAR4ALDH1A1SLC5A1SLC5A2
SCHEMBL19796445 0.85 THRB (0.48) THRBALDH1A1PTPN11SMN1; SMN2MAPT
SCHEMBL19796386 0.85 THRB (0.51) THRBFFAR1FFAR4ALDH1A1SLC5A1
SCHEMBL19624460 0.84 FFAR4 (0.43) THRBFFAR1FFAR4ALDH1A1MAPT

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 4323/4885FFAR1 1057/4885FFAR4 1715/4885

“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.