SCHEMBL19801966

SCHEMBL19801966

C=C(C)C(=O)OCCCCOc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2C)ccc1CCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
S1PR5 Q9H228 4/20 0.37
S1PR3 Q99500 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A9 P48067 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 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
SCHEMBL19804355 0.91 FFAR4 (0.38) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804727 0.89 FFAR4 (0.39) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804704 0.89 S1PR1 (0.38) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804739 0.89 CYP3A4 (0.44) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19797018 0.89 CNR2 (0.35) FFAR4CA1CA2RARARARB
SCHEMBL19804640 0.86 S1PR1 (0.39) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804644 0.86 FFAR4 (0.43) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804265 0.86 FFAR4 (0.38) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804496 0.86 FFAR4 (0.38) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804343 0.85 FFAR4 (0.37) FFAR4CYP3A4CYP2C9CA1CA2

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 S1PR1 98/4885S1PR5 131/4885S1PR3 189/4885

“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.