SCHEMBL19804331

SCHEMBL19804331

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCCCC3)cc2F)ccc1CCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.43
CYP3A4 P08684 3/20 0.43
APP P05067 3/20 0.43
CYP2C9 P11712 2/20 0.43
S1PR1 P21453 4/20 0.34
S1PR5 Q9H228 3/20 0.34
S1PR3 Q99500 2/20 0.34
FASN P49327 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 1/20 0.34
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
GCGR P47871 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
RORC P51449 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
SCHEMBL19804684 0.95 FFAR4 (0.44) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804429 0.95 CYP3A4 (0.44) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804362 0.92 CYP3A4 (0.42) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804256 0.91 CYP3A4 (0.45) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804458 0.90 S1PR1 (0.40) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804443 0.89 CYP3A4 (0.42) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804048 0.88 FFAR4 (0.41) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19796576 0.88 FFAR4 (0.36) FFAR4CYP3A4APPCYP2C9FASN
SCHEMBL19804571 0.87 CYP3A4 (0.43) FFAR4CYP3A4APPCYP2C9S1PR1
SCHEMBL19804056 0.87 CYP3A4 (0.43) FFAR4CYP3A4APPCYP2C9S1PR1

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 FFAR4 1715/4885CYP3A4 2192/4885APP 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.