SCHEMBL25596175

SCHEMBL25596175

C=C(NC(CF)Cc1ccc(O)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ OPRK1 P41145 3/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ CNR1 P21554 1/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ MIF P14174 1/20 0.37

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
SCHEMBL25596306 0.84 OPRK1 (0.42) ESR1ESR2OPRK1OPRD1TAAR1
SCHEMBL25596402 0.81 PCNA (0.50) ESR1ESR2OPRK1OPRD1TAAR1
SCHEMBL25596176 0.79 TAAR1 (0.47) ESR1ESR2OPRK1OPRD1TAAR1
SCHEMBL25596407 0.78 ESR1 (0.47) ESR1ESR2OPRK1OPRD1TAAR1
SCHEMBL12447831 0.67 TAAR1 (0.53) ESR1ESR2OPRK1TAAR1SLC6A2
SCHEMBL25596288 0.67 PCNA (0.51) ESR1ESR2OPRK1OPRD1ADRB2
SCHEMBL25596213 0.66 TAAR1 (0.57) ESR1ESR2TAAR1SLC6A2
SCHEMBL12809685 0.66 OPRK1 (0.54) ESR1ESR2OPRK1OPRD1
SCHEMBL9260666 0.66 TAAR1 (0.56) ESR1ESR2TAAR1SLC6A2
SCHEMBL25596305 0.65 TAAR1 (0.50) ESR1ESR2OPRK1OPRD1TAAR1

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 4494/4885OPRK1 630/4885

“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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