SCHEMBL19796458

SCHEMBL19796458

C=C(C)C(=O)OCCc1cc(-c2ccc(CO)cc2)ccc1CCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MCL1 Q07820 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
ALOX5 P09917 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PTGER4 P35408 1/20 0.33
HSD17B1 P14061 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL19796461 0.92 THRB (0.38) THRBTSHRMCL1GABRA1GABRB2
SCHEMBL19796219 0.91 MCL1 (0.40) THRBTSHRMCL1GABRA1GABRB2
SCHEMBL19796257 0.89 MCL1 (0.40) THRBTSHRMCL1GABRA1GABRB2
SCHEMBL19796456 0.89 MTNR1A (0.38) THRBTSHRMTNR1AMTNR1BMCL1
SCHEMBL19796459 0.86 LTB4R (0.39) THRBTSHRMTNR1AMTNR1BMCL1
SCHEMBL19804025 0.85 THRB (0.40) THRBTSHRMTNR1AMTNR1BALOX5
SCHEMBL19796496 0.85 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL19796540 0.84 THRB (0.43) THRBTSHRALDH1A1
SCHEMBL19796218 0.84 TSHR (0.42) THRBTSHRMCL1POLBAPEX1
SCHEMBL19796419 0.83 THRB (0.38) THRBTSHRMCL1GABRA1GABRB2

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 4323/4885TSHR 4195/4885MTNR1A 4362/4885

“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.