SCHEMBL3055834

SCHEMBL3055834

COc1ccc(-c2c(-c3ccccc3)oc3ccnc(Nc4cccc(OCC(=O)O)c4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
PPARD Q03181 3/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
HAVCR2 Q8TDQ0 2/20 0.42
AURKA O14965 2/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL13087315 0.94 KDR (0.43) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1786150 0.87 AURKA (0.57) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1785544 0.86 AURKA (0.56) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1785548 0.86 AURKA (0.56) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1787420 0.85 CHEK1 (0.56) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1789691 0.81 AURKA (0.56) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1788764 0.80 TEK (0.56) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1788684 0.80 AURKA (0.64) AURKA
SCHEMBL1785545 0.80 AURKA (0.55) ALDH1A1KDM4EKDRTEKMEN1
SCHEMBL1785332 0.78 AURKA (0.59) AURKA

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-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
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 ALDH1A1 1360/4885KDM4E 3917/4885FABP3 3/4885

“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.