SCHEMBL29635938

SCHEMBL29635938

CCOC(=O)/C=C1\CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
EPHX2 P34913 1/20 0.38
ESR1 P03372 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC6A4 P31645 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27864843 1.00 ESR2 (0.43) ESR2EPHX2ESR1CHRNB2CHRNB4
SCHEMBL3703757 0.88 ESR2 (0.42) ESR2ESR1CHRNB2CHRNB4CHRNA3
SCHEMBL3703756 0.88 ESR2 (0.42) ESR2ESR1CHRNB2CHRNB4CHRNA3
SCHEMBL28032986 0.86 SMN1; SMN2 (0.45) ESR2EPHX2SLC6A3NPSR1SLC6A4
SCHEMBL31332791 0.83 SLC6A3 (0.42) ESR1SLC6A3HCAR2SLC6A4
SCHEMBL27593184 0.83 MAPT (0.33) EPHX2SLC6A3ALDH1A1CYP3A4
SCHEMBL27797705 0.80 EPHX2 (0.38) EPHX2ESR1CHRNB2CHRNB4CHRNA3
SCHEMBL3761323 0.80 ESR2 (0.48) ESR2EPHX2ESR1CTDSP1TDP1
SCHEMBL11721964 0.75 ESR2 (0.49) ESR2CTDSP1TDP1HCAR2HPGD
SCHEMBL9639194 0.75 TSHR (0.53) ESR2ESR1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
CN-111148739-B Cyclic peptide antibiotics 豪夫迈·罗氏有限公司 2025-06-03 CN disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 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-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ESR2 1119/4885EPHX2 4801/4885ESR1 1693/4885

“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.