SCHEMBL583233

SCHEMBL583233

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 2/20 0.45
CTSK P43235 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44

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 0.91 LMNA (0.53) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL583633 0.88 HTT (0.61) SMN1; SMN2HTTALDH1A1MRGPRX4HPGD
SCHEMBL583459 0.85 HSD17B2 (0.54) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16459569 0.84 LMNA (0.45) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL583036 0.83 CA12 (0.56) LMNAHTTMRGPRX4RAB9ATSHR
SCHEMBL19083811 0.82 RAB9A (0.49) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL28164564 0.81 HTT (0.52) HTTALDH1A1MRGPRX4RAB9ATSHR
SCHEMBL19083761 0.80 PPARG (0.50) MAPTLMNAHTTALDH1A1RAB9A
SCHEMBL10053685 0.80 GAA (0.45) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16460041 0.78 NFE2L2 (0.64) KMT2AMEN1MAPTCYP1A2CYP3A4

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 KMT2A 1254/4885MEN1 4678/4885MAPT 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.