SCHEMBL10078816

SCHEMBL10078816

CCOC(=O)C1CCN(c2nc(N3CCC(C(=O)O)CC3)nc(N3CCC(C(=O)OCC)CC3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
USP2 O75604 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 7/20 0.55
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PTPN11 Q06124 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C19 P33261 1/20 0.49
SHMT2 P34897 1/20 0.48
LGMN Q99538 1/20 0.48
BLM P54132 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL868893 0.94 ALDH1A1 (0.60) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL10055318 0.88 ALDH1A1 (0.55) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL2264334 0.87 MAPT (0.57) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL21679495 0.84 PTPN11 (0.53) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL725443 0.82 KDM4E (0.71) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL195417 0.79 KDM4E (0.60) KDM4EHPGDNPSR1HSD17B10ALDH1A1
SCHEMBL8485910 0.79 PPM1B (0.55) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL1296409 0.79 PPM1B (0.55) KDM4ENPSR1ALDH1A1MAPTMEN1
SCHEMBL12644983 0.78 KDM4E (0.71) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL724405 0.78 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 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 (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-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES POLM, RNGTT, POLR1G KDM4E 2818/4885USP2 3418/4885HPGD 2802/4885

“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.