SCHEMBL25596196

SCHEMBL25596196

C[C@@](N)(F)Cc1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.63
ESR1 P03372 9/20 0.61
ESR2 Q92731 8/20 0.55
ABAT P80404 1/20 0.44
CA2 P00918 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 3/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL25596195 1.00 BLM (0.63) BLMESR1ESR2ABATCA2
SCHEMBL25596169 0.83 ESR1 (0.57) BLMESR1ESR2ABATTAAR1
SCHEMBL564410 0.82 ESR1 (0.67) BLMESR1ESR2ABATTAAR1
Metyrosine SCHEMBL50398 0.78 BLM (1.00) BLMESR1ESR2ABATCA2
SCHEMBL5057766 0.78 BLM (0.58) BLMESR1ESR2ABATCA2
SCHEMBL24305563 0.78 BLM (0.73) BLMESR1ESR2ABATCA2
SCHEMBL16263572 0.78 BLM (0.73) BLMESR1ESR2ABATCA2
SCHEMBL16263574 0.78 BLM (0.73) BLMESR1ESR2ABATCA2
Acetic Acid SCHEMBL5733361 0.78 BLM (0.68) BLMESR1ESR2CA2TAAR1
Metyrosine SCHEMBL162280 0.78 BLM (1.00) BLMESR1ESR2ABATCA2

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 3756/4885ESR1 4421/4885ESR2 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.