SCHEMBL25517145

SCHEMBL25517145

Cc1ccc2c(c1)oc1c(C)c(C)c(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
AHR P35869 1/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 1/20 0.35
NOS1 P29475 1/20 0.33
PSMB8 P28062 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
SCHEMBL25517153 0.86 ADORA3 (0.43) MAOBHPGDALDH1A1ADORA3AHR
SCHEMBL25517167 0.85 MAPT (0.41) HPGDALDH1A1ADORA3AHRMAPT
SCHEMBL11976514 0.83 MCL1 (0.43) MAOBHPGDALDH1A1GAACDC25A
SCHEMBL25517172 0.82 CA12 (0.42) MAOBHPGDALDH1A1ADORA3MAPT
SCHEMBL26749899 0.80 NQO1 (0.37) MAOBHPGDALDH1A1ADORA3AHR
SCHEMBL13563983 0.80 MAOB (0.48) MAOBHPGDALDH1A1GAACDC25A
SCHEMBL26293026 0.79 CSNK2A2 (0.46) MAOBHPGDALDH1A1GAACDC25A
SCHEMBL18760656 0.79 AHR (0.49) HPGDALDH1A1AHRMAPTSMN1; SMN2
SCHEMBL18327972 0.79 DYRK1A (0.49) MAOBHPGDALDH1A1GAACDC25A
SCHEMBL10031365 0.78 MAOB (0.50) MAOBHPGDALDH1A1GAACDC25A

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 MAOB 2037/4885HPGD 3769/4885ALDH1A1 1473/4885
US-11659763-B2 Metal complexes IMMT, MCU, SOD1 MAOB 2037/4885HPGD 3769/4885ALDH1A1 1473/4885

“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.