SCHEMBL5415007

SCHEMBL5415007

CCOC(=O)c1cc(O)cc(OCC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.73
CA1 P00915 7/20 0.73
CA2 P00918 7/20 0.73
CA7 P43166 7/20 0.73
CA9 Q16790 7/20 0.73
CA14 Q9ULX7 7/20 0.73
BRD4 O60885 1/20 0.53
BRD2 P25440 1/20 0.53
CREBBP Q92793 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 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
SCHEMBL713400 0.86 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL14374036 0.86 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL475700 0.85 CA12 (0.92) CA12CA1CA2CA7CA9
SCHEMBL39026 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL13411227 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13411234 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL19231629 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2259938 0.84 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL19809534 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3216583 0.83 MEN1 (0.58) 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
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 CA12 1828/4885CA1 1004/4885CA2 213/4885

“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.