SCHEMBL5837102

SCHEMBL5837102

C=CO/C=C/CC(C)CCCCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 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
SCHEMBL5837106 1.00 ACE2 (0.36) ACE2ADH1BADH1CADH1AADH4
SCHEMBL5835752 0.77 OPRM1 (0.40) ACE2ADH1BADH1CADH1AADH4
SCHEMBL5835750 0.77 OPRM1 (0.40) ACE2ADH1BADH1CADH1AADH4
SCHEMBL632478 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL16499503 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL25172364 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL11821383 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL4556969 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL1615226 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4
SCHEMBL9773418 0.75 TSHR (0.46) ACE2ADH1BADH1CADH1AADH4

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 ACE2 2345/4885ADH1B 461/4885ADH1C 225/4885
US-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst PRDX4, ACOX3, PRDX2 ACE2 3363/4885ADH1B 2415/4885ADH1C 351/4885

“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.