SCHEMBL3279684

SCHEMBL3279684

CCCNCC=C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.39
ADH1B P00325 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
ALOX15 P16050 1/20 0.33
EP300 Q09472 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
SCHEMBL3285129 0.86 ALDH1A1 (0.43) PAOXADH1BADH1AADH7ALOX15
SCHEMBL3284597 0.85 EPHX1 (0.44) PAOXADH1BADH1AADH7EP300
SCHEMBL3285616 0.85 EPHX1 (0.44) PAOXADH1BADH1AADH7EP300
SCHEMBL3277709 0.85 EPHX1 (0.44) PAOXADH1BADH1AADH7EP300
SCHEMBL10742545 0.83 PAOX (0.44) PAOXADH1BADH1AADH7ALOX15
SCHEMBL5086171 0.83 ALDH1A1 (0.31)
SCHEMBL3331069 0.83 NFKB1 (0.32)
SCHEMBL637548 0.82 PAOX (0.42) PAOXADH1BADH1AADH7ALOX15
SCHEMBL637549 0.82 PAOX (0.42) PAOXADH1BADH1AADH7ALOX15
SCHEMBL635766 0.79 PAOX (0.48) PAOXALOX15EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
US-8821841-B2 Copolymers for cosmetic applications BASF SE (DE) 2014-09-02 US disclosed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-20100135918-A1 COPOLYMERS FOR COSMETIC APPLICATIONS BASF SE (DE) 2010-06-03 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20080199416-A1 Free radically polymerized, crosslinked copolymer of vinylpyrrolidone-methacrylic acid-vinylimidazole-C16-C18-polyethylene glycol methacrylate- ethylene glycol dimethacrylate; quaternized with methyl chloride or methyl sulfate; neutralized with triethanolamine; hair spray, shampoo, cosmetics BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed
US-6579517-B1 Crosslinked, water soluble polyurethane; hair setting BASF AKTIENGESELLSCHAFT (DE) 2003-06-17 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 (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-20080199416-A1 Free radically polymerized, crosslinked copolymer of vinylpyrrolidone-methacrylic acid-vinylimidazole-C16-C18-polyethylene glycol methacrylate- ethylene glycol dimethacrylate; quaternized with methyl chloride or methyl sulfate; neutralized with triethanolamine; hair spray, shampoo, cosmetics PCNA, PHOSPHO1, SGMS2 PAOX 564/4885ADH1B 2392/4885ADH1A 982/4885
US-20100135918-A1 COPOLYMERS FOR COSMETIC APPLICATIONS CUTA, ACMSD, FFAR3 PAOX 474/4885ADH1B 456/4885ADH1A 468/4885

“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.