SCHEMBL4724622

SCHEMBL4724622

CC1(C)OC(=O)C(C=Nc2ccccc2OCc2ccccc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
BLM P54132 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HPGD P15428 2/20 0.38
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL19060472 0.81 MAPK1 (0.35) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL1959242 0.81 KDM4E (0.46) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL311212 0.81 MAOB (0.42) ALDH1A1MEN1KMT2AKDM4ECCNB2
SCHEMBL17780993 0.81 MAOB (0.42) ALDH1A1MEN1KMT2AKDM4ECCNB2
SCHEMBL10123179 0.73 ALDH1A1 (0.40) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4011411 0.71 ALDH1A1 (0.31) MAPTALDH1A1KDM4EHTT
SCHEMBL28758183 0.70 BRD4 (0.35) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL31757922 0.70 PTGER1 (0.44) MAPTL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL2761640 0.67 L3MBTL1 (0.47) MAPTL3MBTL1MAPK1TDP1HTT
SCHEMBL2762001 0.67 PRKCA (0.49) MAPTL3MBTL1MAPK1TDP1ALDH1A1

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
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 EP disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 MAPT 3758/4885L3MBTL1 2918/4885MAPK1 1790/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 MAPT 3758/4885L3MBTL1 2918/4885MAPK1 1790/4885

“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.