SCHEMBL5844564

SCHEMBL5844564

CCC(COC)Oc1cc(C)nc(Nc2ccc(OC)cc2OC)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.43
CRHR1 P34998 1/20 0.42
SHMT2 P34897 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK1 P06493 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6798505 0.86 GAA (0.52) MAPTKDM4EGAAPKMHTT
SCHEMBL5843122 0.85 MAPT (0.48) MAPTKDM4EGAAPKMHTT
SCHEMBL5843974 0.77 ALDH1A1 (0.50) CRHR1ALDH1A1
SCHEMBL6792213 0.77 CRHR1 (0.44) MAPTKDM4EGAAPKMCRHR1
SCHEMBL6797656 0.75 HPGD (0.47) MAPTKDM4EGAAPKMHTT
SCHEMBL5844403 0.75 HPGD (0.44) MAPTKDM4EGAAHTTTAS1R3
SCHEMBL6799327 0.75 MEN1 (0.41) MAPTKDM4EGAAPKMHTT
SCHEMBL7592652 0.74 GAA (0.51) MAPTKDM4EGAAPKMCRHR1
SCHEMBL27489799 0.70 CRHR1 (0.36) CRHR1HSD17B10
SCHEMBL5844815 0.70 ALDH1A1 (0.41) CRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
CN-1395566-A Corticotropin releasing factor antagonists PFIZER PROD INC (US) 2003-02-05 CN disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 2253/4885KDM4E 2820/4885GAA 2029/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 1457/4885KDM4E 4501/4885GAA 1321/4885

“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.