SCHEMBL23610044

SCHEMBL23610044

COc1ccc(OC)c(C(O)c2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA1A P35348 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
SYK P43405 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SCD O00767 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL31143602 1.00 ADRA2A (0.50) ADRA2AADRA1AHSD17B10TSHRRAB9A
SCHEMBL23610042 1.00 ADRA2A (0.50) ADRA2AADRA1AHSD17B10TSHRRAB9A
SCHEMBL31143753 1.00 ADRA2A (0.50) ADRA2AADRA1AHSD17B10TSHRRAB9A
SCHEMBL11398150 0.85 ACHE (0.51) RAB9AMEN1MAPK1KMT2AMAPT
SCHEMBL8028214 0.80 RAB9A (0.44) ADRA2AADRA1AHSD17B10TSHRRAB9A
SCHEMBL18287881 0.79 ADRA1A (0.68) ADRA2AADRA1AHSD17B10TSHRCYP2D6
SCHEMBL8806213 0.77 ADRA2A (0.57) ADRA2AADRA1AHSD17B10TSHRCYP2D6
SCHEMBL2401530 0.77 SLC10A1 (0.54) ADRA2AADRA1ATSHRRAB9ACYP2D6
SCHEMBL23610031 0.77 SLC10A1 (0.54) ADRA2AADRA1ATSHRRAB9ACYP2D6
SCHEMBL30943709 0.77 ADRA2A (0.57) ADRA2AADRA1AHSD17B10TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same MOLECULES & MATERIALS CO., LTD. (KR) 2021-09-28 US disclosed
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME MOLECULES & MATERIALS CO., LTD. (KR) 2021-07-08 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 (2 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-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same BCAT1, BCAT2, HBS1L ADRA2A 1565/4885ADRA1A 533/4885HSD17B10 2441/4885
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME BCAT1, BCAT2, HBS1L ADRA2A 1892/4885ADRA1A 649/4885HSD17B10 2513/4885

“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.