SCHEMBL19796318

SCHEMBL19796318

C=C(C)C(=O)OCCc1cc(CO)ccc1-c1ccc(CCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
TSHR P16473 2/20 0.38
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RARB P10826 2/20 0.34
ALOX5 P09917 2/20 0.33
THRA P10827 1/20 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
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FFAR1 O14842 3/20 0.32
FFAR4 Q5NUL3 3/20 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
SCHEMBL19796419 0.95 THRB (0.38) THRBTSHRMCL1ALDH1A1RARB
SCHEMBL19796323 0.93 TSHR (0.42) THRBTSHRMCL1ALDH1A1RARB
SCHEMBL19796332 0.92 THRB (0.38) THRBTSHRMCL1ALDH1A1RARB
SCHEMBL19796411 0.92 THRB (0.38) THRBTSHRMCL1ALDH1A1RARB
SCHEMBL19796423 0.90 TSHR (0.38) THRBTSHRMCL1ALDH1A1RARB
SCHEMBL19624352 0.89 CA1 (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19796316 0.89 FFAR4 (0.36) THRBMCL1RARBALOX5THRA
SCHEMBL19796322 0.87 VDR (0.37) THRBTSHRALDH1A1RARBPOLB
SCHEMBL19796418 0.86 POLB (0.43) THRBALDH1A1POLBAPEX1HTT
SCHEMBL19796326 0.86 CYP4F2 (0.36) THRBTSHRALDH1A1RARBPOLB

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 4195/4885MCL1 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.