SCHEMBL966632

SCHEMBL966632

C=CCC(O)CC(O)c1cc(Br)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1A P35348 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL970319 0.87 ADRA2A (0.37) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL966869 0.78 ADRB1 (0.34) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL18192864 0.75 APLNR (0.36)
SCHEMBL14244030 0.73
SCHEMBL18192902 0.71 CES2 (0.31)
SCHEMBL1262730 0.67 IDO1 (0.43) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL968890 0.67 ADRB1 (0.37) ADRA2AADRA2BADRA2CNPSR1ADRB1
SCHEMBL7184756 0.67 HRH3 (0.35) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL16444969 0.67 CES2 (0.32)
SCHEMBL8643081 0.66 CES2 (0.44) ADRB2ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP ADRB2 2710/4885ADRA2A 3713/4885ADRA2B 1977/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP ADRB2 2710/4885ADRA2A 3713/4885ADRA2B 1977/4885

“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.