SCHEMBL7190673

SCHEMBL7190673

O=C(O)C(O)(C(=O)c1ccccc1)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PARP1 P09874 1/20 0.42
▸ CES1 P23141 2/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 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
SCHEMBL3239334 0.90 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL7196195 0.84 CES1 (0.50) CA12CA1CA2CA6CA9
SCHEMBL7542420 0.80 UNG (0.51) CES1ALDH1A1MEN1KMT2AMAPT
SCHEMBL562162 0.76 CES1 (0.54) CA12CA1CA2CA6CA9
SCHEMBL17978820 0.75 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL17978693 0.75 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL29631326 0.75 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL16516134 0.75 CES2 (0.55) CA12CA1CA2CA6CA9
SCHEMBL17979123 0.75 CYP2C9 (0.55) CA12CA1CA2CA6CA9
SCHEMBL4212089 0.74 CA12 (0.47) CA12CA1CA2CA6CA9

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.

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