SCHEMBL4411573

SCHEMBL4411573

CCN(CC)C(C)OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
FDPS P14324 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MAPT P10636 1/20 0.32
RNPEP Q9H4A4 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL609709 0.81 TSHR (0.46) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL28375443 0.79 TSHR (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11749635 0.79 LMNA (0.42) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL7861599 0.79 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11856683 0.79 MEN1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL28664167 0.79 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
Acetic Acid SCHEMBL28377703 0.79 PGR (0.34) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11678220 0.77 HCAR2 (0.59) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL358238 0.76 LMNA (0.52) MAPT
SCHEMBL11867821 0.76 ALDH1A1 (0.44) PGRADRA2AADRA2BHTR2AHRH1

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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 PGR 257/4885ADRA2A 6/4885ADRA2B 4/4885

“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.