SCHEMBL9986473

SCHEMBL9986473

COC(=O)c1ccccc1OC(=O)OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
F11 P03951 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL9985674 0.87 HTT (0.44) KMT2AHTTSLC6A3MAPTKEAP1
SCHEMBL21383621 0.80 LIPG (0.54) KEAP1NFE2L2LPLLIPGPRSS1
SCHEMBL9986887 0.80 KEAP1 (0.43) KMT2AKEAP1NFE2L2KDM4ECA1
SCHEMBL15882304 0.79 KMT2A (0.47) KMT2AHTTSLC6A3MAPTLPL
SCHEMBL18925251 0.76 DGAT1 (0.48) KEAP1NFE2L2KDM4ELMNALIPG
SCHEMBL20214711 0.76 NPC1 (0.45) KMT2AKEAP1NFE2L2ATMKDM4E
SCHEMBL9985580 0.76 KDM4E (0.49) KMT2AHTTKEAP1NFE2L2ATM
SCHEMBL14673623 0.75 SMN1; SMN2 (0.46) KMT2AMAPTKEAP1NFE2L2KDM4E
SCHEMBL9985662 0.75 POLB (0.49) KMT2AMAPTKEAP1NFE2L2KDM4E
SCHEMBL5423468 0.74 DGAT1 (0.46) KDM4ELMNALIPGHPGDHDAC1

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 KMT2A 4143/4885HTT 3890/4885SLC6A3 2576/4885

“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.