SCHEMBL7189913

SCHEMBL7189913

CCOC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MIF P14174 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AB1 P08238 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7188574 0.92 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7187720 0.91 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7192741 0.90 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7536439 0.85 CTDSP1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7187574 0.82 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7192752 0.79 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7544197 0.78 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7191778 0.78 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7195386 0.76 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7183237 0.75 CA12 (0.39) CA12CA1CA2CA7CA9

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 CA12 3997/4885CA1 1889/4885CA2 1428/4885

“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.