SCHEMBL23728239

SCHEMBL23728239

CC[CH]C(CC)c1ccc(O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.42
ESR2 Q92731 8/20 0.42
AR P10275 5/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP17A1 P05093 1/20 0.38
PDE10A Q9Y233 1/20 0.37
SHBG P04278 1/20 0.36

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
Methestrol SCHEMBL351267 0.76 SHBG (0.58) ESR1ESR2ARUSP2ALDH1A1
SCHEMBL29459520 0.76 ESR1 (0.48) ESR1ESR2ARUSP2ALDH1A1
SCHEMBL529617 0.76 ESR1 (0.48) ESR1ESR2ARUSP2ALDH1A1
SCHEMBL23728346 0.76 ESR1 (0.54) ESR1ESR2ARALDH1A1ALOX15
SCHEMBL6260738 0.76 ESR1 (0.48) ESR1ESR2ARUSP2ALDH1A1
Methestrol SCHEMBL31290837 0.76 SHBG (0.58) ESR1ESR2ARUSP2ALDH1A1
SCHEMBL13698041 0.74 CYP3A4 (0.47) ESR1ESR2ARALDH1A1HPGD
SCHEMBL97663 0.74 GAA (0.65) ESR1ESR2ARUSP2ALDH1A1
SCHEMBL16964033 0.73 ESR1 (0.41) ESR1ESR2ARALDH1A1PKM
SCHEMBL5709894 0.73 ESR1 (0.46) ESR1ESR2ARUSP2ALDH1A1

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-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO 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
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-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO 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

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 1524/4885ESR2 409/4885AR 1999/4885

“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.