SCHEMBL7535243

SCHEMBL7535243

CC(OC(N)=O)c1ccccc1-c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALOX5 P09917 1/20 0.38
TSHR P16473 3/20 0.37
HTR2B P41595 2/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL7539053 0.88 CA12 (0.41) CA12CA1CA2CA9CA7
SCHEMBL9422687 0.86 GABRA1 (0.50) GABRA1GABRB2CA12CA1CA2
SCHEMBL28673920 0.84 ALDH1A1 (0.42) ALOX5ALDH1A1HSD17B10KDM4EADORA2A
SCHEMBL7539754 0.81 MYC (0.45) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL7539093 0.80 ALOX5 (0.35) CA1CA2ALOX5TSHRTHRB
SCHEMBL10657476 0.80 CA1 (0.44) GABRA1GABRB2CA12CA1CA2
SCHEMBL4745768 0.78 AKR1C3 (0.41) ADRA2AADRA2BADRA2CBAZ2BBAZ2A
SCHEMBL669484 0.76 ALDH1A1 (0.44) RAB9AADRA2AADRA2BADRA2CALDH1A1
SCHEMBL27945388 0.76 CYP1A2 (0.36) ALOX5TSHRADRA2AADRA2CALDH1A1
SCHEMBL9657238 0.76 ALDH1A1 (0.39) CA1CA2CA9ALOX5TSHR

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 GABRA1 169/4885GABRB2 52/4885CA12 3997/4885

“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.