SCHEMBL25906339

SCHEMBL25906339

Cc1ccc(-c2cc(C(C)C)c(O)cc2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.60
HSP90AB1 P08238 8/20 0.60
LMNA P02545 4/20 0.57
TRPA1 O75762 1/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
BACE1 P56817 1/20 0.44
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL4064793 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL4065970 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL21363250 0.82 HSP90AA1 (0.64) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL4241557 0.81 APP (0.50) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL15313776 0.79 CA1 (0.47) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL10653344 0.79 BACE1 (0.52) HSP90AA1HSP90AB1TRPA1ALDH1A1GAA
SCHEMBL14283893 0.79 BACE1 (0.55) LMNATRPA1ALDH1A1GAABACE1
SCHEMBL21176787 0.78 LMNA (0.50) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL4069702 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNATRPA1CHRM1
SCHEMBL4060757 0.77 HSP90AA1 (0.43) HSP90AA1HSP90AB1LMNATRPA1CHRM1

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 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-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC HSP90AA1 1344/4885HSP90AB1 1341/4885LMNA 189/4885

“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.