SCHEMBL2803970

SCHEMBL2803970

Cc1cc(=O)oc2cc(OCC(=O)NCCCCONC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ ALDH1A1 P00352 8/20 0.59
▸ KDM4E B2RXH2 7/20 0.59
▸ HPGD P15428 6/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.56
▸ AR P10275 1/20 0.55
▸ RECQL P46063 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ KDR P35968 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NR2E3 Q9Y5X4 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL2801817 0.85 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12617766 0.83 CYP1A1 (0.60) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL14199652 0.82 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL26195635 0.77 AR (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10804580 0.73 MAOB (0.58) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL18026505 0.73 CYP1A1 (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29270300 0.72 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5717615 0.72 AR (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL16471370 0.71 CA9 (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL21724418 0.71 CA12 (0.56) KMT2AMEN1ALDH1A1KDM4EHPGD

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
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 — — US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 — — US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 — — US disclosed
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 — — EP disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 — — WO disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 — — WO disclosed
US-20080108557-A1 Modified Proteins NOVO NORDISK HEALTHCARE A/G (CH) 2008-05-08 — — US disclosed
US-20080108557-A1 Modified Proteins NOVO NORDISK HEALTHCARE A/G (CH) 2008-05-08 — — US disclosed
US-20080108557-A1 Modified Proteins NOVO NORDISK HEALTHCARE A/G (CH) 2008-05-08 — — US disclosed
EP-1797192-A1 MODIFIED PROTEINS Novo Nordisk Health Care AG (CH) 2007-06-20 — — EP disclosed
WO-2006035057-A1 MODIFIED PROTEINS NOVO NORDISK HEALTH CARE AG (DK) 2006-04-06 — — 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 (2 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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP KMT2A 2872/4885MEN1 416/4885ALDH1A1 4360/4885
US-20080108557-A1 Modified Proteins PTMS, DNPEP, STT3A KMT2A 2057/4885MEN1 2695/4885ALDH1A1 3891/4885

“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.

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