SCHEMBL525779

SCHEMBL525779

C=CC(C)(C)OC(C)(C)OC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL461303 0.78 L3MBTL1 (0.30)
SCHEMBL134231 0.76
SCHEMBL77719 0.71 ALDH1A1 (0.46) ALDH1A1
SCHEMBL21313113 0.69
SCHEMBL9655855 0.65 TSHR (0.31)
SCHEMBL12404534 0.65 ALDH1A1 (0.50) ALDH1A1
SCHEMBL9657194 0.65
1,4-Butanediol SCHEMBL867061 0.63 L3MBTL1 (0.35) ALDH1A1
SCHEMBL1453490 0.63
SCHEMBL4185614 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297078-B1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS BV (NL) 2015-08-19 EP claimed
US-8563780-B2 Allyl and propargyl ethers DSM IP ASSETS B.V. (NL) 2013-10-22 US claimed
US-20120029240-A1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-2297078-A1 ALLYL AND PROPARGYL ETHERS DSM IP Assets B.V. (NL) 2011-03-23 EP claimed
WO-2009138389-A1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS B.V. (NL) 2009-11-19 WO claimed
EP-2297078-B1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS BV (NL) 2015-08-19 EP disclosed
US-8563780-B2 Allyl and propargyl ethers DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
US-8563780-B2 Allyl and propargyl ethers DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
US-20120029240-A1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
US-20120029240-A1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
EP-2297078-A1 ALLYL AND PROPARGYL ETHERS DSM IP Assets B.V. (NL) 2011-03-23 EP disclosed
WO-2009138389-A1 ALLYL AND PROPARGYL ETHERS DSM IP ASSETS B.V. (NL) 2009-11-19 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 (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-20120029240-A1 ALLYL AND PROPARGYL ETHERS EBP, ECH1, AKR1C3 ALDH1A1 1711/4885

“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.