SCHEMBL15880463

SCHEMBL15880463

C=CC(=O)OOC(C)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL15879986 0.81 TSHR (0.31) TSHR
SCHEMBL15880773 0.80 TSHR (0.33) TSHRGAAKMT2A
SCHEMBL28069158 0.76 ALDH1A1 (0.36) TSHRGAA
SCHEMBL5551604 0.74 GAA (0.40) GAA
SCHEMBL15880466 0.72
SCHEMBL225193 0.70 GAA (0.49) TSHRGAAKMT2A
SCHEMBL8170444 0.70
SCHEMBL5074349 0.70 TSHR (0.34) TSHRGAAKMT2A
SCHEMBL11428071 0.70 HCAR2 (0.51) TSHRGAAKMT2A
SCHEMBL5315790 0.70 GAA (0.36) TSHRGAA

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
EP-2769998-B1 (METH)ACRYLATE COMPOUND, AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING SAID (METH)ACRYLATE COMPOUND TOKUYAMA CORP (JP) 2016-08-03 EP disclosed
EP-2769998-A1 (METH)ACRYLATE COMPOUND, AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING SAID (METH)ACRYLATE COMPOUND Tokuyama Corporation (JP) 2014-08-27 EP disclosed
US-20140203226-A1 (METH)ACRYLATE COMPOUND AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING THE (METH)ACRYLATE COMPOUND TOKUYAMA CORPORATION (JP) 2014-07-24 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-20140203226-A1 (METH)ACRYLATE COMPOUND AND PHOTOCHROMIC CURABLE COMPOSITION CONTAINING THE (METH)ACRYLATE COMPOUND TET1, MGMT, CRYAA TSHR 807/4885GAA 4630/4885KMT2A 296/4885

“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.