SCHEMBL582919

SCHEMBL582919

COc1cc(C=CC(=O)O)ccc1OCc1nc(C)c(C)nc1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SNCA P37840 1/20 0.60
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
CA2 P00918 8/20 0.56
CA5A P35218 8/20 0.56
CA9 Q16790 8/20 0.56
RECQL P46063 1/20 0.55
ACHE P22303 2/20 0.53

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
SCHEMBL582918 1.00 KDM4E (0.64) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL16460040 0.91 NFE2L2 (0.64) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL16460041 0.91 NFE2L2 (0.64) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL583610 0.88 FDPS (0.69) KDM4EALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL583609 0.88 FDPS (0.69) KDM4EALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL13143814 0.88 FDPS (0.69) KDM4EALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL16459818 0.82 FDPS (0.52) KDM4EALDH1A1HPGDTXNRD1TXNRD3
SCHEMBL16459820 0.82 FDPS (0.52) KDM4EALDH1A1HPGDTXNRD1TXNRD3
SCHEMBL583045 0.80 PPARD (0.52) CA2CA5ACA9
SCHEMBL583043 0.80 PPARD (0.52) CA2CA5ACA9

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-8350033-B2 4-((3, 5, 6-trimethylpyrazine-2-yl) methoxyl) benzoic acid and its derivatives ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2013-01-08 US claimed
EP-2213666-B1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION LI JIAMING (CN) 2012-02-15 EP claimed
US-20100228029-A1 Ligustrazine aromatic acid ether derivative, its preparation method, pharmaceutical composition, and application ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2010-09-09 US claimed
EP-2213666-A1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION Li, Jiaming (CN) 2010-08-04 EP claimed
US-8350033-B2 4-((3, 5, 6-trimethylpyrazine-2-yl) methoxyl) benzoic acid and its derivatives ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2013-01-08 US disclosed
EP-2213666-B1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION LI JIAMING (CN) 2012-02-15 EP disclosed
US-20100228029-A1 Ligustrazine aromatic acid ether derivative, its preparation method, pharmaceutical composition, and application ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2010-09-09 US disclosed
EP-2213666-A1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION Li, Jiaming (CN) 2010-08-04 EP 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-20100228029-A1 Ligustrazine aromatic acid ether derivative, its preparation method, pharmaceutical composition, and application AHR, CYP3A5, CYP3A43 KDM4E 1340/4885ALDH1A1 381/4885HPGD 480/4885

“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.