SCHEMBL13087677

SCHEMBL13087677

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
UBE2N P61088 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TEK Q02763 4/20 0.36
KDR P35968 3/20 0.36
FAAH O00519 1/20 0.35
AURKA O14965 1/20 0.35
LTB4R Q15722 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
TNK2 Q07912 1/20 0.33
HIF1A Q16665 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARG P37231 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
SCHEMBL13985759 1.00 KDM4E (0.38) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL3047778 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750654 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750681 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527244 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL13087928 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14923135 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409632 0.81 TEK (0.39) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL3047793 0.80 KMT2A (0.47) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530312 0.79 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 2 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

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.