SCHEMBL5109142

SCHEMBL5109142

C=CC(=O)NC(CCC)(C(=O)O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5109283 0.77 TGFBR1 (0.32)
SCHEMBL11501156 0.77 FAAH (0.33) ALDH1A1MAPK1
SCHEMBL10489511 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL8765522 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL525540 0.71 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL9398270 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL4906709 0.71 KMT2A (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL9766457 0.69 ZDHHC20 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL8764635 0.68 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20
SCHEMBL6333703 0.68 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405188-B2 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2008-07-29 US disclosed
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-04-07 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 (1 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-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same KRT18, CUTA, S100A10 ALDH1A1 2189/4885CYP3A4 4259/4885CYP2C9 3902/4885

“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.