SCHEMBL868893

SCHEMBL868893

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
LGMN Q99538 1/20 0.52
PTPN11 Q06124 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SHMT2 P34897 1/20 0.49

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
SCHEMBL10078816 0.94 KDM4E (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL10055318 0.94 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL2264334 0.90 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL195417 0.84 KDM4E (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL724405 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3759702 0.82 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL2265144 0.82 MAPK1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL1708419 0.81 PTPN11 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL20564967 0.81 PTPN11 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3786436 0.81 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-20150307933-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-10-29 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
US-8906612-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-12-09 US disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
US-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-29 US disclosed
WO-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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-20120077189-A1 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES POLM, RNGTT, POLR1G ALDH1A1 1906/4885MAPT 1153/4885SMN1; SMN2 2719/4885

“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.