SCHEMBL4989478

SCHEMBL4989478

COCCN1CCC(Br)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MMP1 P03956 5/20 0.34
MMP3 P08254 5/20 0.34
GBA1 P04062 1/20 0.33
PIK3CD O00329 1/20 0.33
KAT2B Q92831 1/20 0.32
PARP1 P09874 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FKBP1A P62942 1/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL26789326 0.81 PER2 (0.37) ALDH1A1MMP1MMP3GBA1PIK3CD
SCHEMBL26761122 0.80 PIK3CD (0.53) ALDH1A1MMP1MMP3PIK3CD
SCHEMBL1093304 0.79 MMP1 (0.37) ALDH1A1MMP1MMP3GBA1PIK3CD
SCHEMBL2687128 0.79 DPP4 (0.42) ALDH1A1MMP1MMP3GBA1PIK3CD
SCHEMBL24471008 0.77 PIK3CD (0.39) ALDH1A1MMP1MMP3PIK3CDHRH3
SCHEMBL24485369 0.77 MMP1 (0.34) ALDH1A1MMP1MMP3GBA1PIK3CD
SCHEMBL2083375 0.75
SCHEMBL2687127 0.73 PARP1 (0.39) ALDH1A1MMP1MMP3GBA1PARP1
SCHEMBL7618122 0.73 POLB (0.39) ALDH1A1PIK3CDGAA
SCHEMBL7618124 0.73 POLB (0.39) ALDH1A1PIK3CDGAA

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-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 ALDH1A1 672/4885MMP1 1243/4885MMP3 3627/4885

“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.