SCHEMBL16038276

SCHEMBL16038276

CC1=C[C@@H](C(C)C=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MET P08581 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
SCHEMBL16038069 1.00 MET (0.32) MET
SCHEMBL7764562 0.76
SCHEMBL13770796 0.70 CES2 (0.34)
SCHEMBL29488559 0.70 CES2 (0.34)
SCHEMBL12641991 0.70 CES2 (0.34)
SCHEMBL998020 0.69 LMNA (0.38)
SCHEMBL6400426 0.65 ACE2 (0.36)
SCHEMBL21889564 0.62 ACE2 (0.36)
SCHEMBL21875774 0.61 ALDH1A1 (0.32)
SCHEMBL21581849 0.61 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023336-B2 Deuterium-enriched aldehydes Deuterra Agrochemicals, LLC (US) 2015-05-05 US claimed
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2014-09-18 US claimed
US-10058095-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2018-08-28 US disclosed
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2018-02-15 US disclosed
US-9713330-B1 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2017-07-25 US disclosed
WO-2016124566-A1 METHOD AND DEVICE TO TRAP ACARIDS DOMOBIOS (BE) 2016-08-11 WO disclosed
US-9179670-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2015-11-10 US disclosed
US-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2015-07-30 US disclosed
US-9023336-B2 Deuterium-enriched aldehydes Deuterra Agrochemicals, LLC (US) 2015-05-05 US disclosed
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2014-09-18 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 (4 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-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 MET 3874/4885
US-10058095-B2 Deuterium-enriched aldehydes XDH, ALDH5A1, AOX1 MET 3874/4885
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 MET 3874/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 MET 3874/4885

“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.