SCHEMBL12796115

SCHEMBL12796115

C=C(C)C(=O)OC1(C)OCCCSC1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12796123 0.95 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12796104 0.94 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12796114 0.82
SCHEMBL12796124 0.78
SCHEMBL1834271 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL12931321 0.76
SCHEMBL12796130 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12796120 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12796106 0.74
SCHEMBL12796110 0.73 ALDH1A1 (0.38) ALDH1A1

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 9 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
WO-2009104722-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS 株式会社クラレ (JP) 2009-08-27 WO 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 7/4885
US-20110060112-A1 ACRYLATE ESTER DERIVATIVES AND POLYMER COMPOUNDS RAD51, LBR, RPLP0 ALDH1A1 2980/4885

“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.