SCHEMBL3047778

SCHEMBL3047778

COc1ccc(-c2c(-c3ccccc3)oc3ccnc(O[C@H](C)CCCCC(=O)O)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTB4R Q15722 2/20 0.40
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
FAAH O00519 1/20 0.38
AURKA O14965 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
ATM Q13315 2/20 0.36
NPC1 O15118 1/20 0.36
HIF1A Q16665 2/20 0.35

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
SCHEMBL13985759 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL13087677 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530234 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750702 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750708 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519965 0.86 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519959 0.86 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL3042862 0.84 KDM4E (0.42) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
Monoethanolamine SCHEMBL4531691 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530312 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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 3 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

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 1360/4885HPGD 467/4885

“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.