SCHEMBL21363250

SCHEMBL21363250

CC(C)c1cc(-c2ccccc2)c(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.64
BACE1 P56817 1/20 0.58
HSP90AB1 P08238 6/20 0.51
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
BCL2L1 Q07817 1/20 0.45
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TYR P14679 1/20 0.42
ESR2 Q92731 1/20 0.41

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
SCHEMBL25906326 0.87 HSP90AA1 (0.55) HSP90AA1BACE1HSP90AB1GABRA1GABRB2
SCHEMBL6878813 0.86 BACE1 (0.56) HSP90AA1BACE1HSP90AB1GABRA1GABRB2
SCHEMBL4239928 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1GABRA1GABRB2ALDH1A1
SCHEMBL25906339 0.82 HSP90AA1 (0.60) HSP90AA1BACE1HSP90AB1ALDH1A1TRPA1
SCHEMBL22312941 0.82 HSP90AA1 (0.50) HSP90AA1BACE1HSP90AB1GABRA1GABRB2
SCHEMBL22888772 0.82 TSHR (0.56) HSP90AA1BACE1HSP90AB1GABRA1GABRB2
SCHEMBL4065970 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRPA1LMNACHRM1
SCHEMBL4064793 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1GABRA1ALOX5TRPA1
SCHEMBL4383317 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALOX5ALDH1A1
SCHEMBL4063286 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1GABRA1GABRB2ALDH1A1

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 4 patents. 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
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO 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 (2 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-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC HSP90AA1 1344/4885BACE1 3953/4885HSP90AB1 1341/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC HSP90AA1 1344/4885BACE1 3953/4885HSP90AB1 1341/4885

“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.