SCHEMBL3474010

SCHEMBL3474010

CN[C@@H](C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)CC(O)C(=O)O)[C@@H](C)CCCC(O)Cc1ccccc1)[C@@H](C)CCCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.35
HPGD P15428 1/20 0.31
MME P08473 2/20 0.31
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
BACE1 P56817 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
ANPEP P15144 1/20 0.30
ECE1 P42892 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8893802 0.87
SCHEMBL8896931 0.87
SCHEMBL8893313 0.87
SCHEMBL8896166 0.87
SCHEMBL8895976 0.85
SCHEMBL8893116 0.80 MEN1 (0.36) LTA4HHPGDALDH1A1KMT2A
SCHEMBL8893427 0.78 MEN1 (0.37) LTA4HHPGDALDH1A1KMT2A
SCHEMBL8895729 0.77 L3MBTL1 (0.34) LTA4HHPGDALDH1A1KMT2A
SCHEMBL8893928 0.77 ABCB1 (0.40) LTA4HALDH1A1KMT2A
SCHEMBL8897443 0.77

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-7645738-B2 18-membered nitrobenzyl- and aminobenzyl-substituted cyclohexadepsipeptides for controlling endoparasites and a process for their preparation BAYER ANIMAL HEALTH GMBH (DE) 2010-01-12 US disclosed
US-20080026990-A1 18-Membered Nitrobenzyl- and Aminobenzyl-Substituted Cyclohexadepsipeptides for Controlling Endoparasites and a Process for Their Preparation BAYER HEALTHCARE AG (DE) 2008-01-31 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-20080026990-A1 18-Membered Nitrobenzyl- and Aminobenzyl-Substituted Cyclohexadepsipeptides for Controlling Endoparasites and a Process for Their Preparation CBR3, C3AR1, EDNRB LTA4H 926/4885HPGD 1715/4885MME 1572/4885

“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.