SCHEMBL25517153

SCHEMBL25517153

Cc1ccc(-c2ccc3c(c2)oc2c(C)c(C)c(C)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
MAOB P27338 9/20 0.41
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CLK1 P49759 1/20 0.36
HSD11B1 P28845 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL25517145 0.86 MAOB (0.41) ADORA3MAOBALDH1A1AHRKDM4E
SCHEMBL25517172 0.86 CA12 (0.42) ADORA3MAOBCA12CA9ALDH1A1
SCHEMBL13564012 0.83 MAOB (0.47) ADORA3MAOBCA12CA9CLK1
SCHEMBL17427794 0.80 MAOB (0.52) ADORA3MAOBCA12CA9CLK1
SCHEMBL18267835 0.77 MAOB (0.49) ADORA3MAOBCA12CA9CLK1
SCHEMBL17849335 0.77 MAOB (0.58) ADORA3MAOBCA12CA9HSD11B1
SCHEMBL25517167 0.76 MAPT (0.41) ADORA3CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL13564033 0.75 MAOB (0.54) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL26749899 0.75 NQO1 (0.37) ADORA3MAOBALDH1A1AHRKDM4E
SCHEMBL25517164 0.75 MAOB (0.47) ADORA3MAOBCA12CA9CSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320191-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11659763-B2 Metal complexes MERCK PATENT GMBH 2023-05-23 US 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-20230320191-A1 METAL COMPLEXES IMMT, MCU, SOD1 ADORA3 3932/4885MAOB 2037/4885CA12 868/4885
US-11659763-B2 Metal complexes IMMT, MCU, SOD1 ADORA3 3932/4885MAOB 2037/4885CA12 868/4885

“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.