SCHEMBL583459

SCHEMBL583459

CCOC(=O)c1ccc(OC)c(OCc2nc(C)c(C)nc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.54
LMNA P02545 3/20 0.48
MAPT P10636 6/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 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
SCHEMBL16458177 0.89 LMNA (0.53) HSD17B2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL16459569 0.87 LMNA (0.45) HSD17B2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL583036 0.86 CA12 (0.56) LMNATSHRRAB9AHTTMAPK1
SCHEMBL583580 0.85 HSD17B2 (0.47) HSD17B2TSHRMEN1KMT2AGAA
SCHEMBL583233 0.85 KMT2A (0.54) LMNAMAPTTSHRSMN1; SMN2NPC1
SCHEMBL583633 0.81 HTT (0.61) TSHRSMN1; SMN2NPC1RAB9AHTT
SCHEMBL16458383 0.80 HSD17B2 (0.64) HSD17B2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL30506315 0.80 HSD17B2 (0.76) HSD17B2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL1660365 0.80 HSD17B2 (0.76) HSD17B2LMNAMAPTTSHRSMN1; SMN2
SCHEMBL28164564 0.79 HTT (0.52) TSHRRAB9AGAAHTTKDM4E

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 7 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
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 HSD17B2 227/4885LMNA 1834/4885MAPT 2060/4885

“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.