SCHEMBL7539711

SCHEMBL7539711

CC(OC(N)=O)Sc1c(-c2c(O)cc(O)c3ccccc23)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.34
PAK1 Q13153 1/20 0.34
HSP90AA1 P07900 5/20 0.33
HSP90AB1 P08238 5/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TRPM4 Q8TD43 1/20 0.31
DHFR P00374 1/20 0.30
DNMT1 P26358 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
SCHEMBL7538726 0.90 MEN1 (0.39) EPHX1USP2PAK1HSP90AA1HSP90AB1
SCHEMBL7538427 0.82 WDR5 (0.50) EPHX1MEN1MAPTKMT2AKDM4E
SCHEMBL7540706 0.82 EPHX1 (0.33) EPHX1MAPTAKR1C3AKR1C2
SCHEMBL7538784 0.81 KDM4E (0.38) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL7544143 0.69 MEN1 (0.44) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL7539139 0.67 KDM4E (0.47) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL7535634 0.65 CA12 (0.38) EPHX1ALOX5
SCHEMBL9640313 0.64 TRPM4 (0.50) HSP90AA1HSP90AB1MEN1MAPTKMT2A
SCHEMBL7539101 0.64 CA12 (0.36) EPHX1MAPTKDM4EALDH1A1HPGD
SCHEMBL7537322 0.64 SOS1 (0.41) MEN1MAPTKMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 EPHX1 460/4885USP2 1378/4885PAK1 3172/4885

“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.