SCHEMBL15428154

SCHEMBL15428154

CC(C)(C)c1ccc2c(c1)c1ccccc1c1nc3c(n21)C1CCC3C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 4/20 0.38
RORC P51449 4/20 0.38
RORB Q92753 4/20 0.38
PGR P06401 2/20 0.38
CYP11B2 P19099 1/20 0.33
KIF11 P52732 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
DNMT1 P26358 3/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
CHUK O15111 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL16905531 0.93 RORA (0.39) RORARORCRORBPGRCYP11B2
SCHEMBL15428152 0.86 MEN1 (0.36) RORARORCRORBPGRBCHE
SCHEMBL15427917 0.84 ACHE (0.38) BCHEACHETP53ALDH1A1HSD17B10
SCHEMBL17084979 0.81 PGR (0.37) RORARORCRORBPGRKIF11
SCHEMBL15428292 0.80 RORA (0.37) RORARORCRORBPGRKIF11
SCHEMBL16905528 0.78 MEN1 (0.37) RORARORCRORBPGRCYP11B2
SCHEMBL17084980 0.77 PGR (0.38) RORARORCRORBPGRKIF11
SCHEMBL16905524 0.77 RORA (0.38) RORARORCRORBPGRCYP11B2
SCHEMBL17084977 0.76 CYP11B2 (0.35) CYP11B2BCHEACHEALDH1A1
SCHEMBL16905598 0.76 LCK (0.36) CYP11B2BCHEACHETP53ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 RORA 3670/4885RORC 2492/4885RORB 4085/4885

“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.