SCHEMBL3278230

SCHEMBL3278230

CC(=CCNC(C)C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA5 P08648 1/20 0.30
CD81 P60033 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL523130 0.79 CD81 (0.35) ALDH1A1CD81CYP2C9
SCHEMBL3868755 0.76 KDM4E (0.38) ALDH1A1CD81CYP2C9
SCHEMBL638324 0.76 KDM4E (0.38) ALDH1A1CD81CYP2C9
SCHEMBL336884 0.75
SCHEMBL1774515 0.73 AKR1C3 (0.42) CD81CYP2C9
SCHEMBL1774518 0.73 AKR1C3 (0.42) CD81CYP2C9
SCHEMBL7652645 0.72 GRIK1 (0.36)
SCHEMBL7652641 0.72 GRIK1 (0.36)
SCHEMBL5090509 0.71 NFKB1 (0.32) NFKB1CD81CYP2C9
SCHEMBL3331069 0.71 NFKB1 (0.32) NFKB1CD81CYP2C9

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 NFKB1 3745/4885ALDH1A1 2217/4885GAA 4717/4885
US-20100135918-A1 COPOLYMERS FOR COSMETIC APPLICATIONS CUTA, ACMSD, FFAR3 NFKB1 4333/4885ALDH1A1 309/4885GAA 4047/4885

“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.