SCHEMBL17801567

SCHEMBL17801567

Cc1ccc(CC(CCC(N)=O)(Cc2ccc(C)o2)C(N)=O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL30274855 0.75 ALOX5 (0.54) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL17801529 0.74 ALOX5 (0.44) ALOX5NPC1MEN1KMT2AALDH1A1
SCHEMBL7976747 0.67 ALOX5 (0.53) ALOX5MEN1KMT2AALDH1A1PKM
SCHEMBL17801568 0.67 ALOX5 (0.56) ALOX5KMT2AALDH1A1PKMMAPT
SCHEMBL2294520 0.65 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10025528 0.65 CHRM2 (0.50) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL4138469 0.64 MAPT (0.56) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL16492187 0.64
SCHEMBL16358205 0.64 ALOX5 (0.53) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL12310995 0.63 CHRM2 (0.48) ALOX5NPC1RAB9AMEN1KMT2A

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-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same NATIONAL SCIENCE FOUNDATION 2020-04-09 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 (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-20200108146-A1 Nucleophile-Triggered Degradable Materials and Methods of Making and Using the Same MRE11, ENDOD1, DNASE1 ALOX5 1214/4885NPC1 3758/4885RAB9A 3617/4885

“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.