SCHEMBL25596379

SCHEMBL25596379

Cc1cc(O)ccc1CC(C)(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.41
ESR1 P03372 7/20 0.41
TYR P14679 3/20 0.38
BLM P54132 1/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
CHRM1 P11229 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL20991308 0.84 ESR1 (0.48) ESR2ESR1TYRALOX15CYP3A4
SCHEMBL22074721 0.81 BLM (0.58) ESR2ESR1BLMALOX15CYP3A4
SCHEMBL3242324 0.78 ESR1 (0.56) ESR2ESR1TYRSLC6A2CYP3A4
SCHEMBL564873 0.77 SLC6A2 (0.36) SLC6A2TAAR1HTR2BTSHR
SCHEMBL27207997 0.77 LPL (0.36) SLC6A2TAAR1HTR2BALDH1A1
SCHEMBL4394169 0.75 ESR2 (0.46) ESR2ESR1TYRALOX15CYP3A4
SCHEMBL27761921 0.75 HSD17B1 (0.36) ESR2ESR1BLMCYP3A4
SCHEMBL69172 0.74 ESR2 (0.49) ESR2ESR1TYRALOX15CYP3A4
SCHEMBL8752791 0.74 TYR (0.58) ESR2ESR1TYRALOX15CYP3A4
SCHEMBL24253161 0.74 BLM (0.40) ESR2ESR1BLMALOX15CYP3A4

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 ESR2 4494/4885ESR1 4421/4885TYR 7/4885

“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.