SCHEMBL3331069

SCHEMBL3331069

CCNCC=C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
CD81 P60033 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIK2 Q13002 1/20 0.30
TP53 P04637 1/20 0.30
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 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
SCHEMBL3279684 0.83 PAOX (0.39)
Diethylamine SCHEMBL7148660 0.82 TP53 (0.36) CD81CYP2C9GRIK2TP53PTGS1
Diethylamine SCHEMBL7650274 0.82 TP53 (0.36) CD81CYP2C9GRIK2TP53PTGS1
SCHEMBL5090509 0.82 NFKB1 (0.32) NFKB1CD81CYP2C9GRIK2PTGS1
SCHEMBL303228 0.78 CD81 (0.36) CD81
Diethylamine SCHEMBL22689610 0.78 GRIK1 (0.38) CD81GRIK2TP53
SCHEMBL636455 0.78 CD81 (0.36) CD81
SCHEMBL5086171 0.78 ALDH1A1 (0.31)
SCHEMBL3285129 0.78 ALDH1A1 (0.43)
SCHEMBL3277709 0.77 EPHX1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8821841-B2 Copolymers for cosmetic applications BASF SE (DE) 2014-09-02 US disclosed
US-20100135918-A1 COPOLYMERS FOR COSMETIC APPLICATIONS BASF SE (DE) 2010-06-03 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
EP-0957119-B1 Cross-linked, water-soluble or water-dispersible polyurethanes BASF AG (DE) 2005-07-20 EP disclosed
EP-1077669-B1 COSMETIC PRODUCT BASF AG (DE) 2004-09-08 EP disclosed
EP-0992235-B1 Cometic composition BASF AG (DE) 2003-11-05 EP disclosed
EP-1077669-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
EP-0992235-A1 Cometic composition BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999058100-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed
EP-0957119-A1 Cross-linked, water-soluble or water-dispersible polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP 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 3745/4885CD81 3850/4885CYP2C9 4183/4885
US-20100135918-A1 COPOLYMERS FOR COSMETIC APPLICATIONS CUTA, ACMSD, FFAR3 NFKB1 4333/4885CD81 4269/4885CYP2C9 2097/4885

“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.