SCHEMBL23728346

SCHEMBL23728346

CC[CH]C(CC)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.54
TDP1 Q9NUW8 3/20 0.54
CYP2C9 P11712 2/20 0.54
ALOX15 P16050 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL8705936 0.83 ESR1 (0.52) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL13889312 0.80 ESR1 (0.50) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL9714748 0.79 ESR1 (0.54) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL12325602 0.79 ESR1 (0.54) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL3534814 0.78 LMNA (0.46) TDP1LMNATAAR1
SCHEMBL13671541 0.78 ESR1 (0.52) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL13744449 0.78 ESR1 (0.52) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL13889390 0.76 ESR1 (0.50) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL13350429 0.76 ESR1 (0.50) ESR1TDP1CYP2C9ALOX15LMNA
SCHEMBL23728239 0.76 ESR1 (0.42) ESR1TDP1ALOX15ARESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 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 (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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB ESR1 1524/4885TDP1 3469/4885CYP2C9 4501/4885

“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.