SCHEMBL25596407

SCHEMBL25596407

CC(=O)NC(CF)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ PCNA P12004 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.46
▸ ACACB O00763 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ F13A1 P00488 1/20 0.45
▸ GRIA1 P42261 1/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.42

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
SCHEMBL11989410 0.85 PCNA (0.61) ESR1ESR2PCNASLC7A5ACACB
SCHEMBL25596402 0.84 PCNA (0.50) ESR1ESR2PCNASLC7A5ACACB
SCHEMBL25596306 0.83 OPRK1 (0.42) ESR1ESR2SLC7A5OPRD1OPRK1
SCHEMBL25596175 0.78 ESR1 (0.42) ESR1ESR2OPRD1OPRK1TAAR1
SCHEMBL163430 0.77 ACACB (0.62) ACACB
SCHEMBL256801 0.77 ACACB (0.62) ACACB
SCHEMBL24202232 0.76 ACACB (0.45) ESR1ESR2PCNASLC7A5ACACB
SCHEMBL14419803 0.76 ACACB (0.49) ESR1ESR2PCNAACACBKDM4E
SCHEMBL12313515 0.76 ESR1 (0.54) ESR1ESR2SLC7A5KDM4EF13A1
SCHEMBL5490272 0.76 ESR1 (0.54) ESR1ESR2SLC7A5KDM4EF13A1

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 ESR1 4421/4885ESR2 4494/4885PCNA 4243/4885

“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.

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