SCHEMBL17486286

SCHEMBL17486286

CC1(C)c2ccc(-c3ncc(Br)cc3C#N)cc2C(C)(C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGES O14684 1/20 0.30
PRKCQ Q04759 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17486281 0.83 PGR (0.37) CYP11B1CYP11B2
SCHEMBL17486236 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486219 0.80 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486186 0.79 CYP11B1 (0.31) CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL19295077 0.79 ALOX5AP (0.33)
SCHEMBL17486200 0.78 DGAT1 (0.34)
SCHEMBL17486283 0.77 IDO1 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486017 0.75 SMN1; SMN2 (0.33) ALDH1A1HTTSMN1; SMN2
SCHEMBL17477823 0.73 NPC1 (0.38) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL17486102 0.72 ALDH1A1 (0.33) ALDH1A1HTTNPSR1

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 4 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-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 2183/4885PTGES 2977/4885

“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.