SCHEMBL19804235

SCHEMBL19804235

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCCCC3)cc2)ccc1CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
SLC6A9 P48067 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
APP P05067 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 2/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.33
NAAA Q02083 1/20 0.32
ASAH1 Q13510 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
SCHEMBL19804713 0.94 FFAR4 (0.34) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804343 0.93 FFAR4 (0.37) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804402 0.93 FFAR4 (0.39) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19801711 0.92 CYP3A4 (0.47) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804355 0.91 FFAR4 (0.38) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804498 0.89 SLC6A9 (0.40) SLC6A9CYP3A4CYP2C9PTGDRPTGDR2
SCHEMBL19804417 0.89 FFAR4 (0.38) FFAR4SLC6A9CYP3A4CYP2C9CA1
SCHEMBL19804452 0.88 FFAR4 (0.35) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804781 0.88 FFAR4 (0.40) FFAR4SLC6A9CYP3A4CYP2C9PTGDR
SCHEMBL19804038 0.88 CYP3A4 (0.45) FFAR4CYP3A4CYP2C9PTGDRPTGDR2

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 1715/4885SLC6A9 2938/4885CYP3A4 2192/4885

“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.