SCHEMBL3593694

SCHEMBL3593694

Cc1cc(CC(C=Cc2ccccc2OCCCCCc2ccccc2)CCBr)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
RARB P10826 1/20 0.39
S1PR1 P21453 3/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PPARG P37231 4/20 0.37
PTGES O14684 3/20 0.37
ALOX5 P09917 3/20 0.37
RXRA P19793 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G4B P0C869 1/20 0.35
LTB4R Q15722 2/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
PPARA Q07869 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
SCHEMBL3593691 1.00 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL6138195 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL6138471 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL6138536 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL3593693 0.84 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3596775 0.84 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3596771 0.84 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3485010 0.80 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL3485012 0.80 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL3484740 0.80 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DCYSLTR2

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 PDE4A 1833/4885PDE4B 1835/4885PDE4C 2158/4885

“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.