SCHEMBL9985674

SCHEMBL9985674

COC(=O)c1ccccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
VDR P11473 1/20 0.43
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DGAT1 O75907 1/20 0.42

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
SCHEMBL14673623 0.88 SMN1; SMN2 (0.46) KMT2APARP1KDM4EKEAP1NFE2L2
SCHEMBL9986473 0.87 KMT2A (0.47) HTTKMT2AKDM4ESLC6A3KEAP1
SCHEMBL18925251 0.86 DGAT1 (0.48) KDM4EFFAR4KEAP1NFE2L2LMNA
SCHEMBL5423468 0.86 DGAT1 (0.46) KDM4ELMNARAB9AL3MBTL1DGAT1
SCHEMBL10411181 0.83 SLC6A3 (0.58) HTTKMT2APARP1KDM4EFFAR4
SCHEMBL15882304 0.81 KMT2A (0.47) HTTKMT2ASLC6A3MAPTRAB9A
SCHEMBL14568307 0.79 HIF1A (0.41) KDM4ELMNAMAPTRAB9AL3MBTL1
SCHEMBL978857 0.79 HTT (0.64) HTTKMT2ASLC6A3LMNAMAPT
SCHEMBL9985660 0.79 DGAT1 (0.49) KEAP1NFE2L2DGAT1
SCHEMBL9985580 0.79 KDM4E (0.49) HTTKMT2AKDM4EKEAP1NFE2L2

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 HTT 3890/4885KMT2A 4143/4885VDR 1215/4885

“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.