SCHEMBL22677549

SCHEMBL22677549

CN(C)c1ccc2c(CC(=O)C(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48
▸ LCK P06239 2/20 0.48
▸ FYN P06241 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ GRB2 P62993 1/20 0.48
▸ GLA P06280 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B3 P37058 4/20 0.45

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
SCHEMBL2627659 0.85 LCK (0.51) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL29592816 0.85 LCK (0.66) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL259612 0.85 LCK (0.66) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL259330 0.84 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2627650 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL10065007 0.81 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL6689431 0.81 HSD17B3 (0.62) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL15984343 0.80 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL24623285 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL22871876 0.80 KDM4E (0.74) ALDH1A1KDM4EHPGDLMNALCK

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-11279733-B2 Peptide antibiotics THE UNIVERSITY OF QUEENSLAND (AU) 2022-03-22 — — US disclosed
US-20200361994-A1 PEPTIDE ANTIBIOTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — 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-20200361994-A1 PEPTIDE ANTIBIOTICS NGLY1, VIP, PEPD ALDH1A1 4862/4885KDM4E 4639/4885HPGD 3755/4885
US-11279733-B2 Peptide antibiotics NGLY1, VIP, PEPD ALDH1A1 4862/4885KDM4E 4639/4885HPGD 3755/4885

“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.

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