Sugi Predict

Sugi Predict / Compounds / SCHEMBL3042862

SCHEMBL3042862

SCHEMBL3042862

COc1ccc(-c2c(-c3ccccc3)oc3cccc(O[C@H](C)CCCCC(=O)O)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ LTB4R Q15722 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ANO1 Q5XXA6 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL13087928 0.89 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3047778 0.84 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3053478 0.84 LTB4R (0.49) KDM4EALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL4530234 0.80 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6750708 0.80 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL6750702 0.80 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4519965 0.79 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4519959 0.79 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL12791169 0.76 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MEN1KMT2A
Monoethanolamine SCHEMBL4531691 0.76 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 — — US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 — — US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 — — US disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 — — EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — WO 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 KDM4E 3917/4885ALDH1A1 1360/4885L3MBTL1 2516/4885

“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.