SCHEMBL19804713

SCHEMBL19804713

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1CO

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
SLC6A9 P48067 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
APP P05067 1/20 0.31
MCHR1 Q99705 2/20 0.30
PPARG P37231 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ESR1 P03372 1/20 0.30
PPARA Q07869 1/20 0.30
CSF1R P07333 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
SCHEMBL19804235 0.94 FFAR4 (0.37) FFAR4SLC6A9CA1CA2HPGD
SCHEMBL19804674 0.94 FFAR4 (0.33) FFAR4SLC6A9CA1CA2CYP3A4
SCHEMBL19804245 0.92 HPGD (0.36) CA1CA2HPGDPPARGPPARA
SCHEMBL19624551 0.91 CA1 (0.32) FFAR4CA1CA2
SCHEMBL19804343 0.87 FFAR4 (0.37) FFAR4SLC6A9CA1CA2HPGD
SCHEMBL19804402 0.87 FFAR4 (0.39) FFAR4SLC6A9CA1CA2HPGD
SCHEMBL19796990 0.87 CNR2 (0.34) FFAR4CA1CA2CYP2C9
SCHEMBL19801711 0.86 CYP3A4 (0.47) FFAR4SLC6A9CA1CA2HPGD
SCHEMBL19804355 0.86 FFAR4 (0.38) FFAR4SLC6A9CA1CA2CYP3A4
SCHEMBL19804434 0.85 PDE4A (0.35) CA1CA2HPGDPPARGPPARA

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 2938/4885CA1 489/4885

“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.