SCHEMBL17801532

SCHEMBL17801532

NC(=O)CCCC(=O)N(Cc1ccco1)Cc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4729618 0.84 ALOX5 (0.58) ALOX5MAPTTP53POLBHDAC1
SCHEMBL25239501 0.77 ALOX5 (0.62) ALOX5MAPTTP53ALDH1A1TSHR
SCHEMBL2100645 0.76 ALOX5 (0.51) ALOX5MAPTALDH1A1POLBHDAC1
SCHEMBL11234382 0.75 ALDH1A1 (0.50) ALOX5MAPTALDH1A1POLB
SCHEMBL21393181 0.74 MAPK1 (0.66) ALOX5MAPTTP53ALDH1A1TSHR
SCHEMBL1326250 0.74 ALOX5 (0.53) ALOX5MAPTALDH1A1POLBHDAC1
SCHEMBL17801568 0.74 ALOX5 (0.56) ALOX5MAPTTP53ALDH1A1TSHR
SCHEMBL3217675 0.73 ALDH1A1 (0.53) ALOX5MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL5352595 0.73 ALOX5 (0.51) ALOX5MAPTALDH1A1POLBHDAC1
SCHEMBL27867316 0.73 ALOX5 (0.56) ALOX5MAPTTP53ALDH1A1POLB

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 1036/4885MAPT 4138/4885TP53 3342/4885
US-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same MRE11, ENDOD1, DNASE1 ALOX5 1214/4885MAPT 4136/4885TP53 3363/4885

“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.