SCHEMBL25906337

SCHEMBL25906337

Cc1ccc(-c2cc(O)c(O)c(C(C)C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
GABRA1 P14867 5/20 0.50
GABRB2 P47870 3/20 0.50
LMNA P02545 3/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2B P41595 2/20 0.50
TRPA1 O75762 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA1A P35348 1/20 0.50
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MCL1 Q07820 1/20 0.40
GABRB1 P18505 4/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL15176931 0.90 CA1 (0.71) CA1CA2GABRA1GABRB2LMNA
SCHEMBL15445309 0.90 CA1 (0.71) CA1CA2GABRA1GABRB2LMNA
SCHEMBL22888675 0.84 CA1 (0.55) CA1CA2GABRA1GABRB2LMNA
SCHEMBL9742746 0.82 SELL (0.55) CA1CA2TRPA1MCL1AKR1C2
SCHEMBL21363205 0.77 ALOX5 (0.58) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL3812448 0.76 CA1 (0.74) CA1CA2GABRA1GABRB2LMNA
SCHEMBL7942520 0.76 GABRA1 (0.61) CA1CA2GABRA1GABRB2LMNA
SCHEMBL275427 0.75 CA1 (1.00) CA1CA2GABRA1GABRB2LMNA
SCHEMBL10026544 0.75 CA1 (0.71) CA1CA2GABRA1GABRB2LMNA
SCHEMBL13812419 0.74 CA1 (0.38) CA1CA2LMNASLC6A2HTR2B

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 CA1 3881/4885CA2 2388/4885GABRA1 3069/4885

“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.