SCHEMBL3056489

SCHEMBL3056489

COc1ccc(-c2c(-c3ccccc3)oc3c2C(=O)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
BRD4 O60885 1/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
UBE2N P61088 1/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BACE1 P56817 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3057729 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL28636166 0.75 BRD4 (0.47) ALDH1A1LMNAMAPTGAABRD4
SCHEMBL3047809 0.74 ALDH1A1 (0.42) ALDH1A1LMNAMAPTGAABRD4
SCHEMBL10967156 0.69 LMNA (0.62) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL21667786 0.68 CA4 (0.62) ALDH1A1LMNAKDM4ENPSR1L3MBTL1
SCHEMBL31315629 0.68 MAOB (0.56) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL10335445 0.68 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL3666080 0.67 ALDH1A1 (0.46) ALDH1A1LMNAMAPTGAABRD4
SCHEMBL3668412 0.67 ALDH1A1 (0.55) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL3049945 0.67 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDKDM4E

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 1360/4885LMNA 101/4885MAPT 4638/4885

“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.