SCHEMBL5550397

SCHEMBL5550397

COc1ccccc1C(C)(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CASR P41180 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL3537921 0.82 ERN1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL5607017 0.81 GAA (0.45) CA1CA2CA7CA9CA12
SCHEMBL3364583 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21033760 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL30039266 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL19976287 0.78 NR3C1 (0.47) MEN1KMT2AERN1ALDH1A1NFE2L2
SCHEMBL8266196 0.78 KDM4E (0.43) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL2130015 0.77 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL28427893 0.77 CA12 (0.32) CA1CA9CA12MAPTNPSR1
SCHEMBL9326106 0.76 CA1 (0.57) CA1CA2CA7CA9CA12

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-20070027215-A1 Nuclear receptor ligands and ligand binding domains THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-01 US disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN 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-20070027215-A1 Nuclear receptor ligands and ligand binding domains TSHR, NR5A2, THRA CA1 4530/4885CA2 4453/4885CA7 4192/4885

“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.