SCHEMBL17902833

SCHEMBL17902833

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)Nc1cccc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL4847495 0.85 TRPV1 (0.43)
SCHEMBL14018944 0.85 TRPV1 (0.43)
SCHEMBL4847492 0.85 TRPV1 (0.43)
SCHEMBL23334164 0.83 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL25144741 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL29931186 0.77 GAA (0.41) LMNAKMT2AKDM4EPOLBHPGD
SCHEMBL8886501 0.77 HTT (0.43) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL3772328 0.77 NPC1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL3772326 0.77 NPC1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL13785814 0.77 NPC1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB ALDH1A1 1734/4885LMNA 2048/4885MEN1 3309/4885

“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.