SCHEMBL19796472

SCHEMBL19796472

C=CC(=O)OCc1cc(-c2ccc(CO)cc2)ccc1CCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.45
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MCL1 Q07820 1/20 0.36
PTGER4 P35408 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 2/20 0.35
ERN1 O75460 2/20 0.34
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
THRA P10827 2/20 0.34
HSD17B1 P14061 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL19796469 0.93 THRB (0.46) THRBMTNR1AMTNR1BMCL1HPGD
SCHEMBL19796288 0.91 THRB (0.50) THRBMTNR1AMTNR1BMCL1PTGER4
SCHEMBL19796906 0.89 THRB (0.51) THRBTHRA
SCHEMBL19804272 0.85 THRB (0.40) THRBMTNR1AMTNR1BPTGER4
SCHEMBL19796473 0.85 THRB (0.44) THRBMTNR1AMTNR1BHPGDTSHR
SCHEMBL19796295 0.84 THRB (0.39) THRBHPGDTSHRTHRA
SCHEMBL19796456 0.84 MTNR1A (0.38) THRBMTNR1AMTNR1BMCL1PTGER4
SCHEMBL19804338 0.83 PTGER4 (0.41) THRBMTNR1AMTNR1BPTGER4TSHR
SCHEMBL19796477 0.83 MTNR1A (0.38) THRBMTNR1AMTNR1BMCL1PTGER4
SCHEMBL19796432 0.82 THRB (0.48) THRBMCL1PTGER4HPGDTSHR

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 THRB 4323/4885MTNR1A 4362/4885MTNR1B 4638/4885

“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.