SCHEMBL9985580

SCHEMBL9985580

COC(=O)c1ccccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
GLA P06280 1/20 0.48
SCD O00767 1/20 0.47
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 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
SCHEMBL22854454 0.79 ALDH1A1 (0.68) KDM4EALDH1A1GAAGLASCD
SCHEMBL9985674 0.79 HTT (0.44) KDM4EL3MBTL1KMT2AKEAP1NFE2L2
SCHEMBL9986019 0.78 CA1 (0.61) ALDH1A1CA1CA2CA9POLB
SCHEMBL9985662 0.78 POLB (0.49) KDM4ECA1CA2CA9HSD17B10
SCHEMBL1715126 0.77 MAPT (0.60) KDM4EALDH1A1GAAGLASCD
SCHEMBL9985664 0.76 CA1 (0.54) CA1CA2CA9HPGDHIF1A
SCHEMBL9986473 0.76 KMT2A (0.47) KDM4ECA1CA2CA9HSD17B10
SCHEMBL9986887 0.76 KEAP1 (0.43) KDM4EALDH1A1GAACA1CA2
SCHEMBL21817011 0.75 HPGD (0.64) KDM4EALDH1A1GLACA1CA2
SCHEMBL15882304 0.74 KMT2A (0.47) ALDH1A1CA1CA2CA9L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 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-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS PREP, ADAM10, DNPEP KDM4E 3092/4885ALDH1A1 1555/4885GAA 390/4885

“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.