SCHEMBL20940482

SCHEMBL20940482

CC(C)(S)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.62
ESR2 Q92731 11/20 0.62
CYP3A4 P08684 4/20 0.62
LMNA P02545 2/20 0.62
TYR P14679 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
AR P10275 1/20 0.62
TSHR P16473 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR6 P50406 1/20 0.62
ESRRG P62508 1/20 0.62
SLC6A3 Q01959 1/20 0.62
ALDH1A1 P00352 3/20 0.52
SHBG P04278 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL26078639 0.85 TSHR (0.40) ESR1ESR2CYP3A4LMNATYR
SCHEMBL13082807 0.81 ESR1 (0.59) ESR1ESR2CYP3A4LMNATYR
SCHEMBL25961473 0.78 MEN1 (0.39) ESR1ESR2CYP3A4LMNATYR
SCHEMBL8069687 0.77 ESR1 (0.68) ESR1ESR2CYP3A4LMNATYR
SCHEMBL22335854 0.77 ESR1 (0.80) ESR1ESR2CYP3A4LMNATYR
Bisphenol A SCHEMBL9774987 0.77 ESR1 (1.00) ESR1ESR2CYP3A4LMNATYR
Bisphenol A SCHEMBL15062 0.77 ESR1 (1.00) ESR1ESR2CYP3A4LMNATYR
SCHEMBL677795 0.77 ESR1 (0.68) ESR1ESR2CYP3A4LMNATYR
Bisphenol A SCHEMBL8058731 0.77 ESR1 (1.00) ESR1ESR2CYP3A4LMNATYR
SCHEMBL9454476 0.77 ESR1 (0.68) ESR1ESR2CYP3A4LMNATYR

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-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20190119194-A1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIVERSITE DE MONCTON (CA) 2019-04-25 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 (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-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 ESR1 1365/4885ESR2 515/4885CYP3A4 410/4885
US-20190119194-A1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY ALOX12, ALOX15B, ALOX5 ESR1 1365/4885ESR2 515/4885CYP3A4 410/4885

“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.