SCHEMBL4886935

SCHEMBL4886935

Cc1ccc(O)c(-c2c(O)cccc2CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
SRC P12931 1/20 0.44
PTGS2 P35354 5/20 0.43
MAPT P10636 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
ELANE P08246 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
CSNK2A1 P68400 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
SCHEMBL4887698 0.82 AKR1B1 (0.53) AKR1B1SRCPTGS2MAPTALOX15
SCHEMBL4887267 0.80 AKR1B1 (0.55) AKR1B1SRCPTGS2MAPTSMN1; SMN2
SCHEMBL14363376 0.79 TRPA1 (0.50) MAPTALOX15SMN1; SMN2KDM4EMEN1
SCHEMBL27745589 0.76 SRC (0.56) AKR1B1SRCPTGS2MAPTALOX15
SCHEMBL3228305 0.73 SRC (0.62) AKR1B1SRCPTGS2MAPTALOX15
SCHEMBL29481933 0.73 SRC (0.62) AKR1B1SRCPTGS2MAPTALOX15
SCHEMBL27625189 0.73 AKR1B1 (0.68) AKR1B1PTGS2MAPTKDM4EMEN1
SCHEMBL3907285 0.72 AKR1B1 (0.67) AKR1B1PTGS2MAPTKDM4EMEN1
SCHEMBL4619074 0.71 AKR1B1 (0.41) AKR1B1ALDH1A1PTGS1
SCHEMBL9890649 0.70 PTGS1 (0.59) AKR1B1SRCPTGS2MAPTALOX15

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 513/4885SRC 2345/4885PTGS2 1713/4885

“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.