SCHEMBL7542641

SCHEMBL7542641

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA12 O43570 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
LMNA P02545 3/20 0.49
ESR1 P03372 6/20 0.48
ESR2 Q92731 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA3 P07451 1/20 0.45
TYR P14679 1/20 0.45
DRD1 P21728 1/20 0.45

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
SCHEMBL7542637 0.90 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL6253950 0.84 TSHR (0.54) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL6655202 0.80 ESR1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL831508 0.80 CA12 (0.52) CA1CA2CA12CA7CA9
SCHEMBL11829860 0.79 HSD17B3 (0.44) CA1CA2CA12CA7CA9
SCHEMBL5669277 0.79 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL27964073 0.78 ESR1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL29377435 0.78 ESR1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL27614782 0.78 ESR1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL27898386 0.77 CA12 (0.58) CA1CA2CA12CA7CA9

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 CA1 1889/4885CA2 1428/4885CA12 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.