SCHEMBL19804635

SCHEMBL19804635

C=C(C)C(=O)OCCc1cc(-c2ccc(CO)cc2)cc2ccc(C3CCCCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
FFAR4 Q5NUL3 1/20 0.33
ERN1 O75460 1/20 0.33
S1PR1 P21453 5/20 0.32
S1PR5 Q9H228 4/20 0.32
S1PR3 Q99500 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NAAA Q02083 1/20 0.32
ASAH1 Q13510 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL19796926 0.87 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL19804676 0.83 S1PR1 (0.39) FFAR4S1PR1S1PR5S1PR3CA1
SCHEMBL19804558 0.81 FFAR4 (0.43) FFAR4S1PR1S1PR5S1PR3CA1
SCHEMBL19804315 0.81 FFAR4 (0.36) FFAR4S1PR1S1PR5S1PR3CA1
SCHEMBL19804283 0.80 MTNR1A (0.47) MTNR1AMTNR1BERN1
SCHEMBL19796471 0.79 MTNR1A (0.47) MTNR1AMTNR1BERN1
SCHEMBL19804565 0.79 FFAR4 (0.39) FFAR4S1PR1S1PR5S1PR3CA1
SCHEMBL19804817 0.79 PPARG (0.37) FFAR4PPARGPPARA
SCHEMBL19804689 0.78 FFAR4 (0.42) FFAR4S1PR1S1PR5S1PR3CA1
SCHEMBL19804262 0.78 FFAR4 (0.36) FFAR4S1PR1S1PR5S1PR3CA1

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 MTNR1A 4362/4885MTNR1B 4638/4885FFAR4 1715/4885

“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.