SCHEMBL19796477

SCHEMBL19796477

C/C=C(\C)C(=O)OCc1cc(-c2ccc(CO)cc2)ccc1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MCL1 Q07820 1/20 0.35
PTGER4 P35408 1/20 0.35
HSD17B1 P14061 2/20 0.35
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
ALOX5 P09917 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ERN1 O75460 1/20 0.33
THRB P10828 1/20 0.32
HDAC2 Q92769 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL19796317 0.91 MCL1 (0.40) MCL1HSD17B1GABRA1GABRB2ALOX5
SCHEMBL19796456 0.87 MTNR1A (0.38) MTNR1AMTNR1BMCL1PTGER4HSD17B1
SCHEMBL19624475 0.84 MEN1 (0.41) MTNR1AMTNR1BPTGER4HSD17B1ERN1
SCHEMBL19796973 0.83 RARB (0.45) ALOX5THRB
SCHEMBL19796930 0.83 RARB (0.42) THRB
SCHEMBL19796472 0.83 THRB (0.45) MTNR1AMTNR1BMCL1PTGER4HSD17B1
SCHEMBL19804234 0.81 BAZ2B (0.38) PTGER4BAZ2BBAZ2A
SCHEMBL19624469 0.80 MEN1 (0.37) MCL1HSD17B1
SCHEMBL19796467 0.79 THRB (0.40) MTNR1AMTNR1BALOX5THRB
SCHEMBL19796460 0.79 CYP4F2 (0.38) MCL1HSD17B1GABRA1GABRB2ALOX5

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 2 patents. 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
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 4638/4885MCL1 1532/4885

“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.