SCHEMBL25596373

SCHEMBL25596373

Cc1cc(O)ccc1CC(C)(CF)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.37
HSD17B1 P14061 1/20 0.36
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRG P48443 1/20 0.34
ESRRB O95718 1/20 0.33
ESRRG P62508 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL25581942 0.85 CHRNA7 (0.41) BLMCYP2C9HSD17B10ESRRG
SCHEMBL24253161 0.81 BLM (0.40) BLMHSD17B1ESR2ESR1RXRA
SCHEMBL22074721 0.78 BLM (0.58) BLMHSD17B1ESR2ESR1RXRA
SCHEMBL20991308 0.75 ESR1 (0.48) HSD17B1ESR2ESR1CYP2C9HSD17B10
SCHEMBL25596379 0.72 ESR2 (0.41) BLMESR2ESR1CYP2C9HSD17B10
SCHEMBL3927390 0.71 CNR1 (0.38) HSD17B1ESR2ESR1ESRRBESRRG
SCHEMBL18179322 0.70 ESR2 (0.46) HSD17B1ESR2ESR1NR3C1PGR
SCHEMBL27761921 0.70 HSD17B1 (0.36) BLMHSD17B1ESR2ESR1ESRRB
SCHEMBL2587955 0.70 RXRA (0.53) RXRARXRBCYP2C9RXRGLMNA
SCHEMBL3242324 0.69 ESR1 (0.56) ESR2ESR1HSD17B10ESRRGLMNA

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-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 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-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 BLM 3756/4885HSD17B1 3924/4885ESR2 4494/4885

“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.