SCHEMBL583610

SCHEMBL583610

CCOC(=O)C=Cc1ccc(OCc2nc(C)c(C)nc2C)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.69
MAOB P27338 1/20 0.59
ACHE P22303 4/20 0.58
BCHE P06276 3/20 0.58
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TTR P02766 1/20 0.48

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
SCHEMBL13143814 1.00 FDPS (0.69) FDPSMAOBACHEBCHETXNRD1
SCHEMBL583609 1.00 FDPS (0.69) FDPSMAOBACHEBCHETXNRD1
SCHEMBL16459818 0.89 FDPS (0.52) FDPSMAOBTXNRD1TXNRD3TXNRD2
SCHEMBL16459820 0.89 FDPS (0.52) FDPSMAOBTXNRD1TXNRD3TXNRD2
SCHEMBL16460041 0.88 NFE2L2 (0.64) FDPSMAOBTXNRD1TXNRD3TXNRD2
SCHEMBL582919 0.88 KDM4E (0.64) ACHETXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL582918 0.88 KDM4E (0.64) ACHETXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL16460040 0.88 NFE2L2 (0.64) FDPSMAOBTXNRD1TXNRD3TXNRD2
SCHEMBL20144419 0.82 MAOB (0.68) MAOBTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL8046251 0.82 FDPS (0.84) FDPSMAOBACHEBCHEALDH1A1

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
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
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
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 FDPS 2293/4885MAOB 1402/4885ACHE 3783/4885

“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.