SCHEMBL4094512

SCHEMBL4094512

COc1cc2c(=O)c(=O)c(=O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
PDE3B Q13370 7/20 0.47
PDE3A Q14432 7/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAOA P21397 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 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
Water SCHEMBL9036802 0.97 MEN1 (0.46) MEN1KMT2ANPC1PDE3BPDE3A
SCHEMBL8856580 0.84 PTGS2 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
Water SCHEMBL9036576 0.82 PTGS2 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1711296 0.78 CYP3A4 (0.53) PDE3BPDE3AKDM4EALDH1A1MAOA
SCHEMBL29368836 0.78 CYP3A4 (0.53) PDE3BPDE3AKDM4EALDH1A1MAOA
SCHEMBL28905976 0.77 MEN1 (0.40) MEN1KMT2ANPC1PDE3BPDE3A
SCHEMBL7455184 0.75 NPC1 (0.59) MEN1KMT2ANPC1PDE3BPDE3A
SCHEMBL24000179 0.74 GRIN2D (0.54) PDE3BPDE3AKDM4EALDH1A1MAOA
SCHEMBL30088998 0.74 GRIN2D (0.54) PDE3BPDE3AKDM4EALDH1A1MAOA
SCHEMBL13211672 0.71 MAOB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963328-B1 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2013-10-30 EP disclosed
US-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications HYBRIGENICS SA (FR) 2009-07-16 US disclosed
EP-1963328-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS Hybrigenics S.A. (FR) 2008-09-03 EP disclosed
WO-2007066200-A2 INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-06-14 WO disclosed
US-5648381-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1997-07-15 US disclosed
US-5591848-A Spiroconjugated charge-transfer dyes for optical applications THE PENN STATE RESEARCH FOUNDATION (US) 1997-01-07 US disclosed
US-5571843-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1996-11-05 US disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566446-B1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
EP-0566446-A1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed
WO-1993020046-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR PREPARATION OF SAME AND THEIR USE AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 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 (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-20090181972-A1 Novel Inhibitors of Cysteine Proteases, the Pharmaceutical Compositions Thereof and their Therapeutic Applications SERPINB1, CTSF, CTSE MEN1 4737/4885KMT2A 4707/4885NPC1 483/4885

“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.