SCHEMBL7189903

SCHEMBL7189903

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
AOX1 Q06278 1/20 0.35
TSHR P16473 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TRIM24 O15164 1/20 0.32
HPGD P15428 1/20 0.32
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
POLB P06746 1/20 0.32
GLO1 Q04760 1/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP2A6 P11509 1/20 0.30
PTGS2 P35354 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL7544207 0.94 ALDH5A1 (0.37) ALDH1A1AOX1TSHRTRIM24HPGD
SCHEMBL7187706 0.92 KMT2A (0.36) ALDH1A1AOX1TSHRTRIM24HPGD
SCHEMBL7194308 0.91 ALDH1A1 (0.42) ALDH1A1PARP10PARP3EPHX2NR1H4
SCHEMBL7191761 0.86 PARP10 (0.34) ALDH1A1TSHRPARP10PARP3EPHX2
SCHEMBL7192743 0.82 ALDH5A1 (0.38) ALDH1A1AOX1PARP10PARP3EPHX2
SCHEMBL7196475 0.79 ALDH1A1 (0.42) ALDH1A1PARP10PARP3EPHX2NR1H4
SCHEMBL7197504 0.78 ALDH1A1 (0.38) ALDH1A1AOX1TSHRPARP10PARP3
SCHEMBL7190162 0.78 ALDH1A1 (0.34) ALDH1A1AOX1TSHRPARP10PARP3
SCHEMBL7189907 0.76 KMT2A (0.41) ALDH1A1TSHRTRIM24TDP1TRIM33
SCHEMBL7542207 0.74 RBP4 (0.38) ALDH1A1EPHX2NR1H4TDP1KIF11

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 1488/4885AOX1 107/4885TSHR 4831/4885

“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.