SCHEMBL460780

SCHEMBL460780

O=C1CCC(=Cc2ccc3c(c2)OCO3)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 8/20 0.58
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 3/20 0.58
TDP1 Q9NUW8 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
DYRK2 Q92630 9/20 0.55
DYRK1A Q13627 7/20 0.55
DYRK1B Q9Y463 7/20 0.55
PIM1 P11309 8/20 0.52
DYRK3 O43781 6/20 0.52
CSNK2A2 P19784 6/20 0.52
CSNK2B P67870 6/20 0.52
CSNK2A1 P68400 6/20 0.52
CSNK2A3 Q8NEV1 6/20 0.52
HSD17B10 Q99714 2/20 0.51
CDK5 Q00535 4/20 0.49
CDK5R1 Q15078 4/20 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
SCHEMBL14181814 0.74 ALDH1A1 (1.00) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL14358778 0.73 ALDH1A1 (0.52) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL22275227 0.73 ALDH1A1 (0.59) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL29369746 0.73 GSK3B (0.83) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL1249098 0.73 GSK3B (0.83) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL29763457 0.73 MAPT (0.64) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL2882197 0.73 GSK3B (0.83) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL10518776 0.73 MAPT (0.64) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL10750926 0.73 KMT2A (0.76) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL10750921 0.73 KMT2A (0.76) MAPTALDH1A1KMT2AKDM4ETDP1

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-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US disclosed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP disclosed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US disclosed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed
WO-2010082813-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-20060134048-A1 Reduction of hair growth GILLETTE COMPANY, THE 2006-06-22 US disclosed
US-20050249685-A1 topical applying heat shock protein inhibitors GILLETTE COMPANY, THE 2005-11-10 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MAPT 9/4885ALDH1A1 2348/4885KMT2A 1354/4885

“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.