SCHEMBL19804736

SCHEMBL19804736

C=C(C)C(=O)OCCOc1cc(CCCO)ccc1-c1ccc(-c2ccc(C3CCCCC3)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
APP P05067 2/20 0.40
S1PR1 P21453 5/20 0.37
S1PR5 Q9H228 4/20 0.37
S1PR3 Q99500 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
SLC6A9 P48067 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM1A O60341 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 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
SCHEMBL19804632 0.92 FFAR4 (0.43) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804523 0.91 FFAR4 (0.44) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804809 0.91 FFAR4 (0.44) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804796 0.90 FFAR4 (0.43) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804505 0.89 CYP3A4 (0.39) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19797064 0.89 FFAR4 (0.35) FFAR4CYP3A4CYP2C9S1PR1S1PR3
SCHEMBL19804644 0.88 FFAR4 (0.43) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804451 0.87 FFAR4 (0.41) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804739 0.87 CYP3A4 (0.44) FFAR4CYP3A4CYP2C9APPS1PR1
SCHEMBL19804161 0.86 SLC6A9 (0.39) SLC6A9CA1CA2RARARARB

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 2192/4885CYP2C9 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.