SCHEMBL1921990

SCHEMBL1921990

C=C(C)C(=O)OCCCCCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HRH1 P35367 2/20 0.45
THRB P10828 2/20 0.44
THRA P10827 1/20 0.43
CYP19A1 P11511 1/20 0.39
NAAA Q02083 3/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL1921399 0.94 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14321912 0.89 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7467173 0.87 THRB (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL233287 0.86 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1562514 0.86 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL232155 0.86 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL342384 0.86 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4447342 0.86 POLB (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL146245 0.84 POLB (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20847831 0.84 HRH1 (0.43) TSHRPOLBAPEX1HTTTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658735-B2 Polymerizable monomer, graft copolymer, and surface modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2014-02-25 US disclosed
US-20110269905-A1 Polymerizable Monomer, Graft Copolymer, and Surface Modifier TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-11-03 US disclosed
EP-2330138-A1 POLYMERIZABLE MONOMER, GRAFT COPOLYMER, AND SURFACE MODIFIER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2011-06-08 EP 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-20110269905-A1 Polymerizable Monomer, Graft Copolymer, and Surface Modifier ITGA1, CHRM1, C3AR1 TSHR 1593/4885POLB 4264/4885APEX1 1792/4885

“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.