SCHEMBL6596558

SCHEMBL6596558

Cc1c(-c2cc3ccc(OC(CCN(C)C)N(C)C)cc3o2)oc(=O)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
MAOA P21397 1/20 0.40
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 6/20 0.34
HPGD P15428 6/20 0.34
KDM4E B2RXH2 5/20 0.34
GAA P10253 4/20 0.34
GLA P06280 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6588296 0.92 ADAM17 (0.35) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6596555 0.84 MAOB (0.39) MAOBMAOACYP2D6ALDH1A1HPGD
SCHEMBL6594575 0.81 KDM4E (0.45) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6590750 0.79 MAOB (0.37) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6592345 0.78 ALDH1A1 (0.50) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL6590481 0.78 ALDH1A1 (0.36) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL6591841 0.77 CA9 (0.51) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL7064199 0.76 ALDH2 (0.48) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6588292 0.76 MAOB (0.36) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6594443 0.76 RXFP1 (0.43) MAOBALDH1A1HPGDKDM4EGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 MAOB 3367/4885MAOA 4187/4885CYP2D6 1756/4885

“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.