SCHEMBL5836728

SCHEMBL5836728

CCC(C)CCOC(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL5836653 0.89 ALOX15 (0.47) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11656958 0.88 HRH4 (0.35) MAPTTSHRCA1CA2HRH4
SCHEMBL3088928 0.82 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4840226 0.80 ALOX15 (0.58) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14400108 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1463418 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6720485 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4444751 0.80 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL217499 0.79
SCHEMBL6790922 0.78 ALOX15 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059951-A Process for preparing peroxyesters or peroxycarbonates 诺力昂化学品国际有限公司 2024-12-03 CN claimed
CN-119059951-A Process for preparing peroxyesters or peroxycarbonates 诺力昂化学品国际有限公司 2024-12-03 CN disclosed
WO-2024094637-A1 PROCESS FOR THE PREPARATION OF CYCLIC KETONES ARXADA AG (CH) 2024-05-10 WO disclosed
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-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP 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-20040049070-A1 Reacting a hydroperoxide or acyl hydroperoxide with a mixed anhydride having a -C(O)-O-C(O)-O- group to form a peracid or diacyl peroxide; OVERKAMP JOHANNES WILLIBRORDUS (NL) 2004-03-11 US disclosed
US-6610880-B1 Reacting with an organohydroperoxide under basic conditions to form peracids, peresters, diacylperoxides or their hydroxy derivatives; low cost; odorless; high yield AKZO NOBEL NV (NL) 2003-08-26 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
US-6482970-B1 Peroxides, their preparation process and use AKZO NOBEL NV (NL) 2002-11-19 US disclosed
EP-1220837-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES Akzo Nobel N.V. (NL) 2002-07-10 EP disclosed
WO-2001027078-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL N.V. (NL) 2001-04-19 WO 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-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 ALOX15 22/4885CHRNB2 4857/4885CHRNA4 4860/4885
US-20030073861-A1 Using a peroxy compound as curing agent, polymerization catalyst PRDX4, ACOX3, PRDX2 ALOX15 164/4885CHRNB2 4390/4885CHRNA4 4060/4885

“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.