SCHEMBL12796142

SCHEMBL12796142

C=C(C)C(=O)OC1COCC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL12796149 0.85 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL13015849 0.84 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL12796155 0.83 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL13015866 0.82 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL13015879 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL17818351 0.79 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL16694275 0.77 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL12796143 0.76 TSHR (0.32) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL6522891 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL819741 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431722-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-04-30 US disclosed
US-8431722-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-04-30 US disclosed
US-8362169-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-01-29 US disclosed
US-8362169-B2 Acrylate ester derivatives and polymer compounds KURARAY CO., LTD. (JP) 2013-01-29 US disclosed
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2012-12-13 US disclosed
US-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2012-12-13 US disclosed
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2011-03-10 US disclosed
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS KURARAY CO., LTD. (JP) 2011-03-10 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 (2 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-20120316349-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS ADH1A, ADH1C, ADH5 ALDH1A1 7/4885TSHR 845/4885CHRM2 230/4885
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS RAD51, LBR, RPLP0 ALDH1A1 2980/4885TSHR 2990/4885CHRM2 4223/4885

“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.