SCHEMBL15840872

SCHEMBL15840872

CC(C)(C)c1ccc2c(ccn3c4c(c(=O)nc23)C2CCC4(C)C2(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.38
BCHE P06276 1/20 0.36
CYP3A4 P08684 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL20878789 0.86
SCHEMBL20878823 0.84
SCHEMBL15840955 0.84 LMNA (0.33) BCHELMNA
SCHEMBL15840875 0.81 HSD11B1 (0.43) HSD11B1BCHECYP3A4SMN1; SMN2ALDH1A1
SCHEMBL15840853 0.79 HSD11B1 (0.44) HSD11B1BCHECYP3A4ALDH1A1LMNA
SCHEMBL15841082 0.77
SCHEMBL15840869 0.76 HSD11B1 (0.39) HSD11B1BCHECYP3A4ALDH1A1LMNA
SCHEMBL15841085 0.76
SCHEMBL15829296 0.75 HSD17B10 (0.31) ALDH1A1LMNA
SCHEMBL15841084 0.75

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-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 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 (2 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 HSD11B1 4370/4885BCHE 3762/4885CYP3A4 2252/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 HSD11B1 4370/4885BCHE 3762/4885CYP3A4 2252/4885

“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.