SCHEMBL4887267

SCHEMBL4887267

Cc1ccc(-c2c(O)cccc2CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.55
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MCL1 Q07820 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 3/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL27625189 0.86 AKR1B1 (0.68) AKR1B1ALDH1A1TDP1MCL1POLB
SCHEMBL4619074 0.86 AKR1B1 (0.41) AKR1B1ALDH1A1MMP2MMP9MMP12
SCHEMBL10969934 0.83 AKR1B1 (0.41) AKR1B1ALDH1A1TDP1POLBL3MBTL1
SCHEMBL4884240 0.80 MMP2 (0.45) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL4886935 0.80 AKR1B1 (0.50) AKR1B1ALDH1A1TDP1MCL1POLB
SCHEMBL28292079 0.77 AKR1B1 (0.48) AKR1B1MCL1POLBMAPTGAA
SCHEMBL7785632 0.76 ACHE (0.43) ALDH1A1TDP1MCL1MAPTKDM4E
SCHEMBL3907285 0.75 AKR1B1 (0.67) AKR1B1ALDH1A1TDP1MCL1POLB
SCHEMBL3738754 0.75 FFAR1 (0.53) AKR1B1ALDH1A1TDP1POLBGAA
SCHEMBL29138358 0.74 ELANE (0.46) MCL1MAPTKDM4EPTGS2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 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 (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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 AKR1B1 513/4885ALDH1A1 1047/4885TDP1 4371/4885

“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.