SCHEMBL3595016

SCHEMBL3595016

COC(=O)CNCCC(C=Cc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR1 P21453 5/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CYP4A11 Q02928 2/20 0.38
CYP4F2 P78329 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3595010 1.00 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3595012 1.00 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL7608446 0.88 LTA4H (0.45) MEN1KMT2APOLBPKMBLM
SCHEMBL6138471 0.87 PDE4A (0.47) S1PR1PDE4APDE4BPDE4CPDE4D
SCHEMBL3606245 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3596771 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3593693 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3606252 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3606248 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM
SCHEMBL3596775 0.87 MEN1 (0.42) MEN1KMT2APOLBPKMBLM

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 MEN1 2233/4885KMT2A 3707/4885POLB 3115/4885

“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.