SCHEMBL14885169

SCHEMBL14885169

COC(=O)c1cc(O)c(O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
ABL1 P00519 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
LMNA P02545 5/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 3/20 0.47
XDH P47989 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 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
SCHEMBL2650105 0.90 GAA (0.50) CA12CA1CA2CA7CA9
SCHEMBL70011 0.87 GAA (0.58) CA12CA1CA2CA7CA9
SCHEMBL17010320 0.86 ABL1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL31187062 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7948445 0.85 NR4A2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL17239465 0.85 ABL1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL29046663 0.85 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL17892934 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18360171 0.85 POLB (0.47) CA12CA1CA2CA7CA9
SCHEMBL27268313 0.85 ABL1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 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-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 CA12 1331/4885CA1 3043/4885CA2 903/4885

“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.