SCHEMBL5835752

SCHEMBL5835752

CCCCCC(C)CC=COCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
ACE2 Q9BYF1 1/20 0.35
TP53 P04637 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL5835750 1.00 OPRM1 (0.40) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL4490111 0.80 OPRM1 (0.43) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL7743521 0.77 OPRM1 (0.42) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL7743526 0.77 OPRM1 (0.42) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL5837102 0.77 ACE2 (0.36) OPRM1ACE2ADH1BADH1CADH1A
SCHEMBL5837106 0.77 ACE2 (0.36) OPRM1ACE2ADH1BADH1CADH1A
SCHEMBL2002731 0.75 OPRM1 (0.41) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL2000896 0.75 OPRM1 (0.41) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL2002733 0.75 OPRM1 (0.41) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL2000897 0.75 OPRM1 (0.41) OPRM1ACE2TP53ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078553-B2 Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents AKZO NOBEL N.V. (NL) 2006-07-18 US disclosed
US-20040260111-A1 Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents VAN DE BOVENKAMP-BOUWMAN ANNA (NL) 2004-12-23 US disclosed
EP-1071662-B1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL NV (NL) 2004-08-04 EP disclosed
US-6770774-B2 USING A PEROXY COMPOUND AS CURING AGENT, POLYMERIZATION CATALYST AKZO NOBEL N.V. (NL) 2004-08-03 US disclosed
US-6552215-B1 Reacting a hydroperoxy compound containing a peroxyester or peroxycarbonate functionality with an alkyl vinyl ether; polymerization initiators, curing agents for unsaturated polyesters and modifying agents AKZO NOBEL N.V. (NL) 2003-04-22 US disclosed
US-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst VAN DE BOVENKAMP-BOUWMAN ANNA (NL) 2003-04-17 US disclosed
EP-1049668-B1 KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE AKZO NOBEL NV (NL) 2003-03-19 EP disclosed
EP-1104401-B1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6482970-B1 Peroxides, their preparation process and use AKZO NOBEL NV (NL) 2002-11-19 US disclosed
US-6384287-B1 REACTING A KETONE PEROXIDE WITH AN ALKYL VINYL ETHER OR AN ACETAL IN THE PRESENCE OF A CATALYST TO YIELD COMPOUNDS AS POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS, AND MODIFYING AGENTS AKZO NOBEL NV (NL) 2002-05-07 US disclosed
EP-1104401-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE Akzo Nobel N.V. (NL) 2001-06-06 EP disclosed
EP-1071662-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE Akzo Nobel N.V. (NL) 2001-01-31 EP disclosed
EP-1049668-A1 KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE Akzo Nobel N.V. (NL) 2000-11-08 EP disclosed
WO-2000009478-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL N.V. (NL) 2000-02-24 WO disclosed
WO-1999052864-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL N.V. (NL) 1999-10-21 WO disclosed
WO-1999032442-A1 KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE AKZO NOBEL N.V. (NL) 1999-07-01 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-20040260111-A1 Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents GPX4, HDHD5, HAO2 OPRM1 2453/4885ACE2 2345/4885TP53 3975/4885
US-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst PRDX4, ACOX3, PRDX2 OPRM1 2299/4885ACE2 3363/4885TP53 4785/4885

“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.