SCHEMBL7540706

SCHEMBL7540706

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ERN1 O75460 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MCL1 Q07820 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
SCHEMBL7539711 0.82 EPHX1 (0.34) EPHX1MAPTAKR1C3AKR1C2
SCHEMBL7539055 0.82 MAPT (0.34) CYP1A2MAPTCYP2C9CYP2C19ERN1
SCHEMBL7538726 0.80 MEN1 (0.39) EPHX1MAPT
SCHEMBL7538427 0.79 WDR5 (0.50) EPHX1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7539732 0.69 MAPT (0.36) CYP1A2MAPTCYP2C9CYP2C19ERN1
SCHEMBL7545406 0.66 DRD1 (0.35)
SCHEMBL7535787 0.66 DRD1 (0.39)
SCHEMBL7542805 0.65 MAPT (0.38) CYP1A2MAPTCYP2C9CYP2C19ERN1
SCHEMBL7538784 0.62 KDM4E (0.38) MAPT
SCHEMBL7537322 0.62 SOS1 (0.41) CYP1A2MAPTCYP2C9CYP2C19MCL1

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 460/4885CYP1A2 1275/4885MAPT 3240/4885

“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.