SCHEMBL19796404

SCHEMBL19796404

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCCCC)cc2)c(CCOC(=O)C(=C)C)c(OCCOC(=O)C(=C)C)c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
RARB P10826 11/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
RARA P10276 2/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 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
SCHEMBL19804163 0.86 CA1 (0.38) ALDH1A1MEN1KMT2AUSP2SMN1; SMN2
SCHEMBL19007862 0.86 THRA (0.42) THRBTHRARARBTSHRALDH1A1
SCHEMBL19796481 0.84 THRB (0.39) THRBTHRARARBTSHRALDH1A1
SCHEMBL20414060 0.83 RARB (0.40) THRBTHRARARBTSHRALDH1A1
SCHEMBL19796861 0.83 CA1 (0.33) RARBTSHRALDH1A1LMNAMAPT
SCHEMBL19796874 0.82 THRA (0.42) THRBTHRARARBTSHRALDH1A1
SCHEMBL19796405 0.82 THRB (0.39) THRBTHRARARBTSHRALDH1A1
SCHEMBL19796479 0.81 THRB (0.43) THRBTHRARARBTSHRALDH1A1
SCHEMBL19801964 0.81 CA1 (0.35) CYP3A4
SCHEMBL19796974 0.81 THRA (0.42) THRBTHRARARBTSHRALDH1A1

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 THRB 4323/4885THRA 4376/4885RARB 3517/4885

“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.