SCHEMBL3598408

SCHEMBL3598408

CCOC(=O)CN(C)CCC(C=Cc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
S1PR1 P21453 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3598347 1.00 LTA4H (0.44) LTA4HMEN1KMT2APOLBPKM
SCHEMBL3598346 1.00 LTA4H (0.44) LTA4HMEN1KMT2APOLBPKM
SCHEMBL13443457 0.91 MEN1 (0.36) LTA4HMEN1KMT2APOLBPKM
SCHEMBL6138536 0.87 PDE4A (0.44) LTA4HTDP1PDE4APDE4BPDE4C
SCHEMBL7608446 0.85 LTA4H (0.45) LTA4HMEN1KMT2APOLBPKM
SCHEMBL3595606 0.84 LTA4H (0.42) LTA4HKMT2APDE4APDE4BPDE4C
SCHEMBL3595602 0.84 LTA4H (0.42) LTA4HKMT2APDE4APDE4BPDE4C
SCHEMBL3595599 0.84 LTA4H (0.42) LTA4HKMT2APDE4APDE4BPDE4C
SCHEMBL2691155 0.84 KMT2A (0.39) LTA4HMEN1KMT2APOLBPKM
SCHEMBL2691150 0.84 KMT2A (0.39) LTA4HMEN1KMT2APOLBPKM

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA LTA4H 2385/4885MEN1 2233/4885KMT2A 3707/4885

“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.