SCHEMBL6781993

SCHEMBL6781993

COC(=O)c1cc(OC)c(C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
GAA P10253 7/20 0.54
POLB P06746 4/20 0.51
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 4/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HPGD P15428 5/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL31335674 0.92 GAA (0.54) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL6582728 0.89 KDM4E (0.67) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL11065578 0.88 KDM4E (0.52) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL3972997 0.86 KDM4E (0.63) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL7466908 0.85 KDM4E (0.68) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL28420508 0.85 KDM4E (0.53) KDM4EGAAPOLBHSD17B10USP2
SCHEMBL24329339 0.83 GAA (0.50) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL3899027 0.83 KDM4E (0.77) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL1918973 0.83 GAA (0.50) KDM4EGAAPOLBKMT2AHSD17B10
SCHEMBL11385067 0.83 GAA (0.63) KDM4EGAAPOLBKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039203-A1 Process for the preparation of 1,5-disubstituted-3-amino-1,2,4,-triazoles and substituted aminoguanidines as intermediate compounds SANOFI-SYNTHELABO (FR) 2004-02-26 US claimed
EP-1337519-A1 PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUATED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS SANOFI-SYNTHELABO (FR) 2003-08-27 EP claimed
WO-2002034729-A1 PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUTED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS SANOFI-SYNTHELABO (FR) 2002-05-02 WO claimed
CN-111196816-B Seven-membered ring compound and application thereof in preventing and treating diabetes and metabolic syndrome 中国科学院上海药物研究所 2022-11-04 CN disclosed
CN-111196816-A Seven-membered ring compound and application thereof in preventing and treating diabetes and metabolic syndrome 中国科学院上海药物研究所 2020-05-26 CN disclosed
US-20040039203-A1 Process for the preparation of 1,5-disubstituted-3-amino-1,2,4,-triazoles and substituted aminoguanidines as intermediate compounds SANOFI-SYNTHELABO (FR) 2004-02-26 US disclosed
EP-1337519-A1 PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUATED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS SANOFI-SYNTHELABO (FR) 2003-08-27 EP disclosed
WO-2002034729-A1 PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUTED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS SANOFI-SYNTHELABO (FR) 2002-05-02 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-20040039203-A1 Process for the preparation of 1,5-disubstituted-3-amino-1,2,4,-triazoles and substituted aminoguanidines as intermediate compounds PRMT1, AP3D1, IL4I1 KDM4E 2201/4885GAA 3603/4885POLB 3194/4885

“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.