SCHEMBL4874520

SCHEMBL4874520

CC(=N)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA6 P23280 1/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CA5A P35218 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
ACHE P22303 2/20 0.46
FASN P49327 1/20 0.44
HSD17B1 P14061 5/20 0.43

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
SCHEMBL13339140 0.80 CA12 (0.56) CA12CA2CA9CA1CA6
SCHEMBL2486233 0.80 CA12 (0.56) CA12CA2CA9CA1CA6
SCHEMBL2486236 0.80 CA12 (0.56) CA12CA2CA9CA1CA6
SCHEMBL28993746 0.78 CA12 (0.60) CA12CA2CA9CA1CA6
SCHEMBL23268280 0.78 PRSS1 (0.54) CA12CA2CA9CA1LMNA
SCHEMBL7359286 0.76 PARP1 (0.61) CA12CA2CA9CA1CA6
SCHEMBL29720106 0.76 CA12 (0.64) CA12CA2CA9CA1CA6
SCHEMBL206107 0.76 CA12 (0.52) CA12CA2CA9CA1CA6
SCHEMBL42942 0.76 CA12 (0.64) CA12CA2CA9CA1CA6
SCHEMBL30113067 0.76 CA12 (0.52) CA12CA2CA9CA1CA6

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-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. 2008-10-16 US claimed
EP-2582799-B1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS INC (US) 2017-12-20 EP disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 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-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS ACHE, EHMT1, BCHE CA12 762/4885CA2 280/4885CA9 613/4885

“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.