SCHEMBL4755653

SCHEMBL4755653

CCOC(=O)C(C)NC(=O)c1ccc(O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA7 P43166 4/20 0.60
CA9 Q16790 4/20 0.60
CA14 Q9ULX7 4/20 0.60
ALDH1A1 P00352 2/20 0.53
GFER P55789 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
SERPINE1 P05121 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL14289650 0.84 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL10397207 0.78 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL18986198 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL19017365 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL19017367 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4756419 0.77 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL30968705 0.76 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL30968706 0.76 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL2543216 0.76 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL5118055 0.76 ALDH1A1 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA CA12 4802/4885CA1 4368/4885CA2 1564/4885

“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.