SCHEMBL17486252

SCHEMBL17486252

CC1(C)OC(C)(C)c2cc(-c3ncc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3OCCc3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.33
CYP11B2 P19099 8/20 0.33
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 1/20 0.30
GRM2 Q14416 1/20 0.30
PDE10A Q9Y233 2/20 0.30
ROCK2 O75116 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL20805773 0.86 L3MBTL1 (0.33) POLBMAPK1HTTNPSR1
SCHEMBL17485959 0.72 DGAT1 (0.45) CYP11B1CYP11B2CYP19A1
SCHEMBL17486108 0.70 FEN1 (0.41) CYP11B2SMN1; SMN2
SCHEMBL17486254 0.70 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1
SCHEMBL17486256 0.69 CYP11B1 (0.35) CYP11B1CYP11B2MAPK1CYP19A1
SCHEMBL25789702 0.69 RARB (0.44)
SCHEMBL19295138 0.68 KDM4E (0.35) NPSR1
SCHEMBL17486174 0.67 KDM4E (0.33)
SCHEMBL21510343 0.66 L3MBTL1 (0.38) NPSR1PDE10A
SCHEMBL4546807 0.66 L3MBTL1 (0.61) POLBHTTNPSR1

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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CYP11B1 2725/4885CYP11B2 2183/4885POLB 1266/4885

“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.