SCHEMBL21995358

SCHEMBL21995358

CC(Cl)OC(=O)N(C)CCCC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.42
LMNA P02545 2/20 0.40
LTA4H P09960 1/20 0.39
ABCB1 P08183 1/20 0.39
SLC15A1 P46059 1/20 0.39
CCKBR P32239 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL28627064 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LMNAABCB1
SCHEMBL21995253 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL22001301 0.82 TSHR (0.48) ALDH1A1MAPK1L3MBTL1LMNAABCB1
SCHEMBL25211503 0.80 L3MBTL1 (0.48) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL16306384 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1ALOX5LTA4H
SCHEMBL5577016 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL18668926 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LMNASLC15A1
Hydrochloric Acid SCHEMBL4310487 0.77 LTA4H (0.53) ALDH1A1MAPK1L3MBTL1ALOX5LMNA
SCHEMBL390750 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1LTA4HABCB1
SCHEMBL21846519 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1ALOX5LMNA

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-20220106595-A1 ANTIBACTERIAL ANTISENSE AGENTS Pedanius Therapeutics Limited (GB) 2022-04-07 US disclosed
EP-3887520-A1 ANTIBACTERIAL ANTISENSE AGENTS Pedanius Therapeutics Limited (GB) 2021-10-06 EP disclosed
WO-2020109792-A1 ANTIBACTERIAL ANTISENSE AGENTS Pedanius Therapeutics Limited (GB) 2020-06-04 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-20220106595-A1 ANTIBACTERIAL ANTISENSE AGENTS SLC47A1, SLC47A2, ZFR ALDH1A1 4038/4885MAPK1 3559/4885L3MBTL1 884/4885

“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.