SCHEMBL19797148

SCHEMBL19797148

C=C(C)C(=O)OCCc1cc2cc(-c3ccc(CCCCC)cc3)ccc2cc1-c1ccc(CCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
TSHR P16473 2/20 0.38
RARB P10826 11/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL19804693 0.89 CYP11B1 (0.36) MEN1KMT2A
SCHEMBL19796449 0.88 THRB (0.40) THRBTHRATSHRRARBRARA
SCHEMBL19797152 0.87 MEN1 (0.37) THRBTHRATSHRRARBRARA
SCHEMBL19624654 0.85 RARB (0.40) THRBTHRATSHRRARBRARA
SCHEMBL19796904 0.85 THRB (0.36) THRBTHRATSHRRARBRARA
SCHEMBL19796886 0.85 THRB (0.43) THRBTHRATSHRRARBRARA
SCHEMBL19007883 0.85 THRB (0.43) THRBTHRATSHRRARBRARA
SCHEMBL19624536 0.85 MAPK1 (0.39) THRBTHRATSHRRARBRARA
SCHEMBL19797149 0.85 THRB (0.41) THRBTHRATSHRRARBRARA
SCHEMBL19797154 0.84 RARB (0.34) THRBTHRATSHRRARBRARA

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 4376/4885TSHR 4195/4885

“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.