SCHEMBL3454169

SCHEMBL3454169

COC(=O)c1cc(OC)c(OC)cc1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.59
POLB P06746 3/20 0.50
ALDH1A1 P00352 7/20 0.46
GAA P10253 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL29957897 1.00 KDM4E (0.59) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL7378524 0.83 KDM4E (0.73) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL29953525 0.82 LCK (0.58) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL7466908 0.79 KDM4E (0.68) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL6582728 0.79 KDM4E (0.67) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL28707342 0.79 GAA (0.64) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL666491 0.77 GAA (0.49) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL23525842 0.76 KDM4E (0.63) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL28719929 0.76 KDM4E (0.63) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL8980590 0.76 HTT (0.68) KDM4EPOLBALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 WO disclosed
EP-3321264-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2018-05-16 EP disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO 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 (3 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-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE KDM4E 2954/4885POLB 1016/4885ALDH1A1 3837/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE KDM4E 2948/4885POLB 691/4885ALDH1A1 3972/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 KDM4E 1872/4885POLB 2583/4885ALDH1A1 4501/4885

“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.