SCHEMBL5000853

SCHEMBL5000853

CC(=O)OC1CCC(Br)=CC1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.35
CHRM1 P11229 3/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
ALOX5 P09917 1/20 0.34
SLC18A3 Q16572 2/20 0.33
TAS2R46 P59540 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5004579 0.81 ALOX5 (0.36) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL28030332 0.68 TAS2R46 (0.39) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL3672951 0.67 TAS2R46 (0.41) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL3672947 0.67 TAS2R46 (0.41) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL7920287 0.66 CHRM2 (0.48) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL20995891 0.66 CHRM2 (0.53) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL7926060 0.66 CHRM2 (0.48) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL7926056 0.66 CHRM2 (0.48) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL789252 0.66 CHRM2 (0.53) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL16321479 0.66 ALOX5 (0.41) ALOX5TAS2R46

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-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-07-03 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-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B CHRM2 4830/4885CHRM1 4781/4885MEN1 3947/4885

“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.