SCHEMBL19804457

SCHEMBL19804457

C=C(C)C(=O)Oc1cc(CCO)ccc1-c1ccc(C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
S1PR5 Q9H228 4/20 0.43
S1PR3 Q99500 3/20 0.43
FFAR4 Q5NUL3 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
APP P05067 1/20 0.41
CCR5 P51681 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.34
NAAA Q02083 1/20 0.34
ASAH1 Q13510 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL19804537 0.94 S1PR1 (0.44) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804138 0.91 CYP3A4 (0.42) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804451 0.89 FFAR4 (0.41) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804768 0.87 CYP3A4 (0.48) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804529 0.84 FFAR4 (0.42) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19796800 0.84 SPHK1 (0.38) S1PR3FFAR4CYP3A4CYP2C9ALDH1A1
SCHEMBL19803289 0.83 FFAR4 (0.41) FFAR4CYP3A4CYP2C9APPALDH1A1
SCHEMBL19804632 0.83 FFAR4 (0.43) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804329 0.82 CYP3A4 (0.39) S1PR1S1PR5S1PR3FFAR4CYP3A4
SCHEMBL19804658 0.82 FFAR4 (0.41) S1PR1S1PR5S1PR3FFAR4CYP3A4

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.