SCHEMBL583036

SCHEMBL583036

COc1ccc(C(=O)O)cc1OCc1nc(C)c(C)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
HTT P42858 3/20 0.55
MRGPRX4 Q96LA9 2/20 0.54
TSHR P16473 2/20 0.52
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
SMPD1 P17405 1/20 0.47
RXRA P19793 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47

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
SCHEMBL583633 0.95 HTT (0.61) CA12CA1CA2CA4CA6
SCHEMBL28164564 0.93 HTT (0.52) CA12CA1CA2CA4CA6
SCHEMBL583459 0.86 HSD17B2 (0.54) HTTTSHRLMNAMAPK1RAB9A
SCHEMBL583042 0.84 POLB (0.54) CA12CA1CA2CA4CA6
SCHEMBL13179825 0.83 MRGPRX4 (0.48) HTTMRGPRX4TSHRRAB9A
SCHEMBL583233 0.83 KMT2A (0.54) HTTMRGPRX4TSHRLMNAMAPK1
SCHEMBL16458177 0.82 LMNA (0.53) HTTMRGPRX4TSHRLMNARAB9A
SCHEMBL16459569 0.80 LMNA (0.45) HTTTSHRLMNAMAPK1RAB9A
SCHEMBL19083811 0.78 RAB9A (0.49) HTTMRGPRX4HDAC1HDAC8HDAC6
SCHEMBL583128 0.77 GAA (0.56) RXRALMNARAB9A

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 14 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
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
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
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
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 CA12 3619/4885CA1 4639/4885CA2 3608/4885

“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.