SCHEMBL19804302

SCHEMBL19804302

C=CC(=O)OCc1cc(C)ccc1-c1ccc(OCC(CO)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.41
FFAR4 Q5NUL3 7/20 0.41
APP P05067 5/20 0.36
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGER4 P35408 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19624460 0.86 FFAR4 (0.43) FFAR1FFAR4THRBL3MBTL1MEN1
SCHEMBL19796450 0.85 THRB (0.44) FFAR1FFAR4APPTHRB
SCHEMBL19624624 0.81 FFAR4 (0.40) FFAR1FFAR4APPTHRB
SCHEMBL19804209 0.81 FFAR4 (0.42) FFAR1FFAR4THRBL3MBTL1MEN1
SCHEMBL19804585 0.81 FFAR4 (0.45) FFAR1FFAR4APPTHRBMEN1
SCHEMBL19624565 0.78 FFAR4 (0.44) FFAR1FFAR4THRBSMN1; SMN2
SCHEMBL19804153 0.78 FFAR1 (0.40) FFAR1FFAR4APPPTGER4PTGER1
SCHEMBL19796905 0.77 FFAR4 (0.38) FFAR4THRB
SCHEMBL19804211 0.76 THRB (0.48) FFAR1FFAR4THRBL3MBTL1MEN1
SCHEMBL19804218 0.76 FFAR4 (0.43) FFAR1FFAR4THRBPTGER4ALDH1A1

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 FFAR1 1057/4885FFAR4 1715/4885APP 325/4885

“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.