SCHEMBL7196475

SCHEMBL7196475

CC(OC(N)=O)(c1ccc(C=O)cc1)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
UNG P13051 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33

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
SCHEMBL7191603 0.90 TDP1 (0.43) TDP1EPHX2NR1H4CA1CA2
SCHEMBL7192758 0.86 TDP1 (0.39) ALDH1A1TDP1NR1H4CA1CA2
SCHEMBL7184685 0.86 KDM4E (0.41) ALDH1A1TDP1NR1H4CA1CA2
SCHEMBL7194308 0.83 ALDH1A1 (0.42) ALDH1A1PARP10PARP3TDP1EPHX2
SCHEMBL7191783 0.81 ALDH1A1 (0.39) ALDH1A1PARP10PARP3TDP1UNG
SCHEMBL7189903 0.79 ALDH1A1 (0.35) ALDH1A1PARP10PARP3TDP1EPHX2
SCHEMBL7187596 0.77 TDP1 (0.43) TDP1EPHX2NR1H4MAPTHSD17B10
SCHEMBL7192743 0.77 ALDH5A1 (0.38) ALDH1A1PARP10PARP3TDP1EPHX2
SCHEMBL7187706 0.74 KMT2A (0.36) ALDH1A1TDP1UNGMAPTALOX15
SCHEMBL7542207 0.74 RBP4 (0.38) ALDH1A1TDP1EPHX2NR1H4CA1

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ALDH1A1 1488/4885PARP10 4718/4885PARP3 4620/4885

“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.