SCHEMBL17801529

SCHEMBL17801529

NC(=O)CCC(Cc1ccco1)(Cc1ccco1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PTPN7 P35236 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
EPHX2 P34913 3/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK1 Q13546 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1326250 0.74 ALOX5 (0.53) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL17801567 0.74 ALOX5 (0.45) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL2100052 0.74
SCHEMBL28009434 0.73 ALOX5 (0.49) ALOX5ALDH1A1POLBHPGDMAPT
Hydrochloric Acid SCHEMBL5352595 0.73 ALOX5 (0.51) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL2100645 0.73 ALOX5 (0.51) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL11234382 0.71 ALDH1A1 (0.50) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL8181893 0.71 EPHX2 (0.41) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL3217675 0.70 ALDH1A1 (0.53) ALOX5ALDH1A1POLBL3MBTL1HPGD
SCHEMBL6565710 0.69 ALDH1A1 (0.41) ALOX5ALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same NATIONAL SCIENCE FOUNDATION 2020-04-09 US disclosed
US-20170360940-A1 NUCLEOPHILE-TRIGGERED DEGRADABLE MATERIALS AND METHODS OF MAKING AND USING THE SAME NATIONAL SCIENCE FOUNDATION 2017-12-21 US disclosed
WO-2016090060-A1 NUCLEOPHILE-TRIGGERED DEGRADBLE MATERIALS AND METHODS OF MAKING AND USING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2016-06-09 WO 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-20170360940-A1 NUCLEOPHILE-TRIGGERED DEGRADABLE MATERIALS AND METHODS OF MAKING AND USING THE SAME OGG1, MRE11, DNA2 ALOX5 1036/4885ALDH1A1 1711/4885POLB 82/4885
US-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same MRE11, ENDOD1, DNASE1 ALOX5 1214/4885ALDH1A1 2338/4885POLB 124/4885

“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.