SCHEMBL17486186

SCHEMBL17486186

CC1(C)c2ccc(-c3ncc(-c4nc(C#N)cc(C#N)n4)cc3C#N)cc2C(C)(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 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
SCHEMBL17485999 0.83 KDM4E (0.34) CYP11B1CYP11B2ALDH1A1KDM4EHTT
SCHEMBL17486286 0.79 CYP11B1 (0.35) CYP11B1CYP11B2ALDH1A1HTT
SCHEMBL17486102 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EHTTRXFP1LMNA
SCHEMBL17486200 0.74 DGAT1 (0.34)
SCHEMBL19300467 0.72 RARA (0.41) CYP11B1CYP11B2ALDH1A1KDM4EHTT
SCHEMBL17486189 0.71 CTSS (0.37) ALDH1A1KDM4E
SCHEMBL17486083 0.71 HSD17B1 (0.33) ALDH1A1KDM4EHTT
SCHEMBL17486164 0.68 PDGFRB (0.33)
SCHEMBL17486132 0.67 ALDH1A1 (0.40) ALDH1A1KDM4EHTT
SCHEMBL17486163 0.67 PGR (0.38) CYP11B1CYP11B2ALDH1A1KDM4ERXFP1

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 2183/4885ALDH1A1 3721/4885

“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.