SCHEMBL3057729

SCHEMBL3057729

COc1ccc(-c2c(-c3ccccc3)oc3c2C(=O)C(Br)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
UBE2N P61088 1/20 0.41
BACE1 P56817 1/20 0.40
PTGS2 P35354 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
TNK2 Q07912 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL10967156 0.69 LMNA (0.62) ALDH1A1KDM4EBACE1PTGS2NPC1
SCHEMBL21667786 0.65 CA4 (0.62) ALDH1A1KDM4EBACE1NPC1RAB9A
SCHEMBL31315629 0.65 MAOB (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2PTGS2
SCHEMBL3666080 0.64 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3668412 0.64 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3049945 0.64 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL21667800 0.63 CA4 (0.59) ALDH1A1KDM4EBACE1NPC1RAB9A
SCHEMBL21667799 0.63 CA4 (0.59) ALDH1A1KDM4ESMN1; SMN2BACE1NPC1
SCHEMBL16672197 0.63 CA4 (0.59) ALDH1A1KDM4ESMN1; SMN2BACE1NPC1

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 3917/4885HPGD 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.