SCHEMBL17486221

SCHEMBL17486221

CC1(C)OC(C)(C)c2cc(-c3ncc(Br)cc3F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
PGR P06401 4/20 0.34

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
SCHEMBL17486172 0.86 ALOX5AP (0.36) ALOX5APFEN1PGR
SCHEMBL20805575 0.83 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486219 0.82 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486288 0.81 DYRK1B (0.34) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL20805708 0.78 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL17486108 0.77 FEN1 (0.41) ALDH1A1MAPTSMN1; SMN2ALOX5APFEN1
SCHEMBL17486216 0.77 MAPK1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17486161 0.75 FEN1 (0.34) ALOX5APFEN1
SCHEMBL17486285 0.73 HTR2C (0.42) SMN1; SMN2
SCHEMBL12987716 0.69 DYRK1B (0.49) ALDH1A1MAPTMAPK1HTTSMN1; SMN2

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 ALDH1A1 3721/4885MAPT 1084/4885MAPK1 4229/4885

“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.