SCHEMBL2802894

SCHEMBL2802894

Cc1cc(=O)oc2cc(OCC(=O)ON3C(=O)CCC3=O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.62
▸ KDM4E B2RXH2 10/20 0.62
▸ AR P10275 1/20 0.61
▸ HPGD P15428 7/20 0.61
▸ MAPT P10636 5/20 0.61
▸ TP53 P04637 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ HSD17B10 Q99714 5/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ MAPK1 P28482 3/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ USP2 O75604 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PKM P14618 1/20 0.56

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
SCHEMBL7954015 0.88 MAOB (0.55) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL15499731 0.82 ALDH1A1 (0.81) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL20364004 0.81 ALDH1A1 (0.77) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL2803955 0.80 ALDH1A1 (0.80) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL29881770 0.80 ALDH1A1 (0.80) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL11316690 0.80 AR (0.74) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL3210418 0.78 ALDH1A1 (0.79) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL5717615 0.78 AR (0.73) ALDH1A1KDM4EARHPGDMAPT
SCHEMBL12941617 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL3487121 0.76 KDM4E (0.72) ALDH1A1KDM4EHPGDPOLB

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-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

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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP ALDH1A1 4360/4885KDM4E 4330/4885AR 3789/4885

“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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