SCHEMBL4887698

SCHEMBL4887698

Cc1ccc(O)c(-c2ccccc2CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
GAA P10253 1/20 0.48
SRC P12931 1/20 0.46
KCNMA1 Q12791 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PTGS2 P35354 1/20 0.42
HPGD P15428 1/20 0.41
GRK6 P43250 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PIM1 P11309 1/20 0.40
MPL P40238 1/20 0.40

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
SCHEMBL4886935 0.82 AKR1B1 (0.50) AKR1B1GAASRCKCNMA1PTGS1
SCHEMBL11363825 0.81 AKR1B1 (0.73) AKR1B1GAAMAPTPTGS2HPGD
SCHEMBL7827157 0.79 AKR1B1 (0.67) AKR1B1GAAPTGS1HTTMAPT
SCHEMBL9890649 0.79 PTGS1 (0.59) AKR1B1GAASRCPTGS1HTT
SCHEMBL27745589 0.78 SRC (0.56) AKR1B1GAASRCHTTMAPT
SCHEMBL3738754 0.77 FFAR1 (0.53) AKR1B1GAASRCPTGS1HTT
SCHEMBL9447453 0.76 PTGS2 (0.54) AKR1B1GAAPTGS1MAPTPTGS2
SCHEMBL9890647 0.76 PTGER1 (0.57) AKR1B1SRCPTGS1PTGDR2PTGS2
SCHEMBL3228305 0.76 SRC (0.62) AKR1B1GAASRCPTGS1MAPT
SCHEMBL29481933 0.76 SRC (0.62) AKR1B1GAASRCPTGS1MAPT

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 513/4885GAA 2387/4885SRC 2345/4885

“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.