SCHEMBL3423830

SCHEMBL3423830

CCOC(=O)c1cc(C)[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GLA P06280 1/20 0.51
ATM Q13315 1/20 0.51
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MAOB P27338 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45

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
SCHEMBL5555614 0.88 PDE3B (0.48) KDM4EPDE3BPDE3AMAOBKMT2A
SCHEMBL3420123 0.87 ALDH1A1 (0.48) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL4318577 0.86 PDE3B (0.49) KDM4EPDE3BPDE3AMAOBKMT2A
SCHEMBL5277715 0.81 ALDH1A1 (0.43) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL23796493 0.80 MEN1 (0.59) MAOBKMT2AMEN1HSP90AA1ALDH1A1
SCHEMBL7220436 0.80 PDE3B (0.41) KDM4EPDE3BPDE3AMAOBKMT2A
SCHEMBL20111506 0.79 ALDH1A1 (0.51) KDM4EGLAATMPDE3BPDE3A
SCHEMBL13367226 0.79 KDM4E (0.56) KDM4EGLAATMKMT2AMEN1
SCHEMBL9321664 0.79 MEN1 (0.52) KDM4EMAOBKMT2AMEN1HSP90AA1
SCHEMBL7450120 0.79 PDE3B (0.41) KDM4EPDE3BPDE3AMAOBKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453652-B2 Di-macrocycles LUMIPHORE, INC. (US) 2022-09-27 US disclosed
EP-2920157-B1 DI-MACROCYCLES LUMIPHORE INC (US) 2019-09-11 EP disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
EP-2920157-A1 DI-MACROCYCLES Lumiphore, Inc. (US) 2015-09-23 EP disclosed
WO-2014078690-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2014-05-22 WO disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
WO-2009154870-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2009154870-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2009-12-23 WO disclosed
US-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis EPIX PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 WO disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 (4 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI KDM4E 732/4885GLA 2058/4885ATM 4840/4885
US-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 KDM4E 4621/4885GLA 3982/4885ATM 2804/4885
US-11453652-B2 Di-macrocycles DLD, NDC1, MCL1 KDM4E 4621/4885GLA 3982/4885ATM 2804/4885
US-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis KLK3, HPGD, HAMP KDM4E 1907/4885GLA 3411/4885ATM 4443/4885

“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.