SCHEMBL19804729

SCHEMBL19804729

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3F)cc2CC)ccc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
APP P05067 3/20 0.40
CYP2C9 P11712 2/20 0.40
FFAR4 Q5NUL3 3/20 0.37
PPARG P37231 6/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
FASN P49327 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL19804351 0.94 PPARG (0.38) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804368 0.92 CYP3A4 (0.41) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804070 0.89 PPARG (0.39) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804064 0.89 CYP3A4 (0.43) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19797019 0.89 PPARD (0.37) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804551 0.88 CYP3A4 (0.46) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804513 0.87 MMP2 (0.38) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804374 0.86 PPARG (0.36) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804069 0.85 SLC6A9 (0.39) CYP3A4APPCYP2C9FFAR4PPARG
SCHEMBL19804045 0.85 CYP3A4 (0.44) CYP3A4APPCYP2C9FFAR4PPARG

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 CYP3A4 2192/4885APP 325/4885CYP2C9 4202/4885

“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.