SCHEMBL3047809

SCHEMBL3047809

O=C1CCCc2oc(-c3ccccc3)c(Br)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.40
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GALK1 P51570 1/20 0.32

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
SCHEMBL3056489 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDBRD4HTT
SCHEMBL28636166 0.73 BRD4 (0.47) ALDH1A1SMN1; SMN2HPGDBRD4HTT
SCHEMBL9802957 0.72 AKR1B1 (0.44) ALDH1A1SMN1; SMN2HPGDBRD4HTT
SCHEMBL23537530 0.67 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDHTTPOLB
SCHEMBL30248853 0.67 PIM1 (0.48) ALDH1A1SMN1; SMN2HPGDPIM1PIM3
SCHEMBL7433627 0.67 PIM1 (0.48) ALDH1A1SMN1; SMN2HPGDPIM1PIM3
SCHEMBL6803539 0.67 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDPOLBPIM1
SCHEMBL1582995 0.67 HTR7 (0.46) ALDH1A1SMN1; SMN2HPGDBRD4KMT2A
SCHEMBL14334925 0.65 PIM1 (0.59) ALDH1A1SMN1; SMN2HPGDPIM1PIM3
SCHEMBL3051114 0.65 CDC7 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A

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 1360/4885SMN1; SMN2 3173/4885HPGD 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.