SCHEMBL12422155

SCHEMBL12422155

COc1cc(C)c2c3c([nH]c2c1)-c1ccc(F)cc1C3

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
CA4 P22748 8/20 0.52
CA6 P23280 8/20 0.52
PARP1 P09874 2/20 0.46
PGR P06401 2/20 0.37
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
AMY1A P0DUB6 1/20 0.34
PDGFRB P09619 1/20 0.34
MAPK14 Q16539 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL2292090 0.85 CA1 (0.57) CA1CA2CA4CA6PARP1
SCHEMBL15641741 0.77 PARP1 (0.50) CA1CA2CA4CA6PARP1
SCHEMBL2296790 0.72 CA1 (0.68) CA1CA2CA4CA6PARP1
SCHEMBL12422200 0.72 MAOA (0.36) CA1CA2CA4CA6PGR
SCHEMBL9528764 0.71 CA1 (0.53) CA1CA2CA4CA6MAPK10
SCHEMBL8946827 0.65 CA1 (0.48) CA1CA2CA4CA6CCNB2
SCHEMBL8946893 0.63 CA1 (0.52) CA1CA2CA4CA6CCNB2
SCHEMBL12382617 0.62 CA1 (0.58) CA1CA2CA4CA6PARP1
SCHEMBL2294178 0.62 CA1 (0.73) CA1CA2CA4CA6MAPK10
SCHEMBL4042971 0.62 PDGFRB (0.42) PDGFRBMAPK14GSK3B

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-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 CA1 517/4885CA2 1721/4885CA4 1033/4885

“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.