SCHEMBL23728223

SCHEMBL23728223

CC(Cc1ccc(O)cc1)NC[CH]O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.53
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 3/20 0.53
ADRB3 P13945 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ADRB1 P08588 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PTGS1 P23219 1/20 0.53
HTR2A P28223 1/20 0.53
MC4R P32245 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
MC3R P41968 1/20 0.53

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
SCHEMBL8441968 0.79 SIGMAR1 (0.66) ADRB2CYP3A4MAPK1ADRB3NPSR1
SCHEMBL14521880 0.79 SIGMAR1 (0.66) ADRB2CYP3A4MAPK1ADRB3NPSR1
SCHEMBL8882092 0.76 SLC6A4 (0.68) ADRB2CYP3A4MAPK1ADRB3NPSR1
SCHEMBL10662965 0.76 SIGMAR1 (0.68) ADRB2CYP3A4MAPK1ADRB3NPSR1
Pholedrine SCHEMBL15286090 0.75 TAAR1 (0.63) ADRB2CYP3A4MAPK1ADRB3NPSR1
SCHEMBL2958028 0.75 SLC6A4 (0.63) ADRB2CYP3A4MAPK1ADRB3NPSR1
Pholedrine SCHEMBL119262 0.75 TAAR1 (0.63) ADRB2CYP3A4MAPK1ADRB3NPSR1
Pholedrine SCHEMBL2739157 0.75 TAAR1 (0.63) ADRB2CYP3A4MAPK1ADRB3NPSR1
SCHEMBL10005270 0.74 SIGMAR1 (0.79) ADRB2CYP3A4MAPK1SIGMAR1CYP2D6
SCHEMBL6186659 0.74 SIGMAR1 (0.79) ADRB2CYP3A4MAPK1SIGMAR1CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO 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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB ADRB2 4051/4885CYP3A4 3571/4885MAPK1 3646/4885

“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.