SCHEMBL18015341

SCHEMBL18015341

CC(=O)c1cc(C)c(C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 4/20 0.37
LMNA P02545 1/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 2/20 0.35
GPR27 Q9NS67 1/20 0.34
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL10102100 0.85 KDM4E (0.40) SMN1; SMN2NPC1RAB9AMAOBKDM4E
SCHEMBL23591285 0.85 SNCA (0.40) SMN1; SMN2NPC1RAB9AMAOBKDM4E
SCHEMBL17244914 0.84 RAB9A (0.46) SMN1; SMN2NPC1RAB9ATSHRMAOB
SCHEMBL6744336 0.83 TSHR (0.44) SMN1; SMN2NPC1RAB9ATSHRMAOB
SCHEMBL12279737 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATSHRMAOB
SCHEMBL3958112 0.81 LCK (0.55) SMN1; SMN2TSHRKDM4ELCKFYN
SCHEMBL16181220 0.80 LCK (0.55) SMN1; SMN2RAB9ATSHRLMNALCK
SCHEMBL12325018 0.78 MAOB (0.46) SMN1; SMN2TSHRLMNAMAOBKDM4E
SCHEMBL3203530 0.77 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAOBKDM4EHTT
SCHEMBL10102096 0.77 LCK (0.40) SMN1; SMN2RAB9ATSHRLCKFYN

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC SMN1; SMN2 4799/4885NPC1 4039/4885RAB9A 2171/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 SMN1; SMN2 4144/4885NPC1 2761/4885RAB9A 1433/4885

“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.