SCHEMBL19804277

SCHEMBL19804277

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCCCC3)cc2)ccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
APP P05067 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
NAAA Q02083 1/20 0.32
ASAH1 Q13510 1/20 0.32
HPGD P15428 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
SCHEMBL19804342 0.96 CA1 (0.37) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804262 0.94 FFAR4 (0.36) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804717 0.94 FFAR4 (0.39) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804353 0.93 FFAR4 (0.37) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804393 0.92 CA1 (0.37) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804714 0.91 CA1 (0.35) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804350 0.89 FFAR4 (0.40) FFAR4CYP3A4CYP2C9APPTDP1
SCHEMBL19804495 0.88 SLC6A9 (0.38) FFAR4CA1CA2TDP1POLB
SCHEMBL19804443 0.88 CYP3A4 (0.42) FFAR4CA1CA2CYP3A4CYP2C9
SCHEMBL19804048 0.87 FFAR4 (0.41) FFAR4CA1CA2CYP3A4CYP2C9

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 1715/4885CA1 489/4885CA2 2120/4885

“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.