SCHEMBL10071072

SCHEMBL10071072

CC(C)(C)OC(=O)NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
EPHX1 P07099 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ADORA1 P30542 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL3122796 0.95 ALDH1A1 (0.44) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL10071724 0.90 CA1 (0.42) HPGDALDH1A1GAASIGMAR1EPHX1
SCHEMBL22402873 0.88 TDP1 (0.47) HPGDMAPTTDP1CA1CA2
SCHEMBL3474501 0.88 TDP1 (0.47) HPGDMAPTTDP1CA1CA2
SCHEMBL3402806 0.87 TDP1 (0.47) ALDH1A1GAASIGMAR1TDP1CA1
SCHEMBL18946793 0.86 ALDH1A1 (0.40) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL17468120 0.86 TDP1 (0.49) ALDH1A1GAATDP1CA1CA2
SCHEMBL5555779 0.85 CA1 (0.39) HPGDGAASIGMAR1TDP1CA1
SCHEMBL17381378 0.85 TDP1 (0.51) GAATDP1CA1CA2MEN1
SCHEMBL337313 0.85 TDP1 (0.51) GAATDP1CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 EP disclosed
US-10697976-B2 Mass labels ELECTROPHORETICS LIMITED (GB) 2020-06-30 US disclosed
US-20170045526-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-02-16 US disclosed
US-20170045526-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-02-16 US disclosed
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 US disclosed
US-8106154-B2 Nitrogen-based linkers for attaching modifying groups to polypeptides and other macromolecules AFFYMAX, INC. (US) 2012-01-31 US disclosed
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES AFFYMAX, INC. (US) 2009-02-19 US 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-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules DNPEP, NGLY1, LNPEP KDM4E 3293/4885HPGD 921/4885ALDH1A1 4660/4885
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES NGLY1, YWHAZ, HBZ KDM4E 1348/4885HPGD 2325/4885ALDH1A1 4544/4885

“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.