SCHEMBL3540822

SCHEMBL3540822

COC(=O)[C@H]1CCN1C(=O)c1ccc(C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
PDK2 Q15119 2/20 0.52
FKBP1A P62942 1/20 0.48
HSD11B1 P28845 9/20 0.47
ROCK2 O75116 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL3540820 1.00 ALDH1A1 (0.52) ALDH1A1PDK2FKBP1AHSD11B1ROCK2
SCHEMBL3540732 0.88 ALDH1A1 (0.47) ALDH1A1HSD11B1ROCK2MAPK1L3MBTL1
SCHEMBL3540729 0.88 ALDH1A1 (0.47) ALDH1A1HSD11B1ROCK2MAPK1L3MBTL1
SCHEMBL3547665 0.85 FKBP1A (0.51) ALDH1A1PDK2FKBP1AROCK2KMT2A
SCHEMBL3547667 0.85 FKBP1A (0.51) ALDH1A1PDK2FKBP1AROCK2KMT2A
SCHEMBL3546350 0.83 FKBP1A (0.64) ALDH1A1PDK2FKBP1AKMT2AL3MBTL1
SCHEMBL3546353 0.83 FKBP1A (0.64) ALDH1A1PDK2FKBP1AKMT2AL3MBTL1
SCHEMBL3546372 0.82 PDK2 (0.55) ALDH1A1PDK2FKBP1AROCK2KMT2A
SCHEMBL3546371 0.82 PDK2 (0.55) ALDH1A1PDK2FKBP1AROCK2KMT2A
SCHEMBL15596155 0.81 FKBP1A (0.62) ALDH1A1PDK2FKBP1AROCK2KMT2A

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-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885PDK2 2445/4885FKBP1A 3069/4885

“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.