SCHEMBL19804727

SCHEMBL19804727

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2CC)ccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
RARA P10276 6/20 0.35
RARB P10826 6/20 0.35
RARG P13631 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 1/20 0.33
PPARG P37231 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PPARA Q07869 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
SLC6A9 P48067 2/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL19804496 0.95 FFAR4 (0.38) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804647 0.93 FFAR4 (0.39) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804355 0.93 FFAR4 (0.38) FFAR4CYP3A4CYP2C9APPPPARG
SCHEMBL19804402 0.92 FFAR4 (0.39) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804671 0.92 FFAR4 (0.37) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804739 0.91 CYP3A4 (0.44) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804656 0.91 RARA (0.37) FFAR4RARARARBRARGCYP3A4
SCHEMBL19804265 0.90 FFAR4 (0.38) FFAR4CYP3A4CYP2C9APPPPARG
SCHEMBL19804293 0.90 FFAR4 (0.38) FFAR4CYP3A4CYP2C9APPPPARG
SCHEMBL19801966 0.89 S1PR1 (0.37) FFAR4RARARARBRARGCYP3A4

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 1715/4885RARA 3585/4885RARB 3517/4885

“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.