SCHEMBL3049945

SCHEMBL3049945

COc1ccc(-c2c(-c3ccccc3)oc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
UBE2N P61088 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
CYP3A4 P08684 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1786338 0.79 KDM4E (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL1902469 0.76 AKT1 (0.47)
SCHEMBL3049906 0.75 KDM4E (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL13087544 0.74 KDM4E (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL29582121 0.73 KDM4E (0.59) ALDH1A1KDM4EHPGDABCG2CYP3A4
SCHEMBL6202509 0.73 TEK (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3047792 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL6494662 0.71 MEN1 (0.79) ALDH1A1KDM4EHPGDSMN1; SMN2ABCG2
SCHEMBL31315629 0.71 MAOB (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2ABCG2
SCHEMBL27948316 0.70 ABCG2 (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2ABCG2

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.