SCHEMBL3598271

SCHEMBL3598271

COC(=O)CCCCC(CCc1ccccc1OCc1ccc(C2CCCCC2)cc1)S(=O)(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
PDE4D Q08499 7/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
STAT3 P40763 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 1/20 0.35

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
SCHEMBL13443517 0.86 PTGER1 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3602387 0.85 MAPT (0.37) LMNAMAPTKMT2AMEN1TP53
SCHEMBL3600414 0.85 RAB9A (0.37) LMNAMAPTKMT2AGAATP53
SCHEMBL3603564 0.84 KMT2A (0.36) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3604761 0.84 MAPT (0.36) LMNAMAPTKMT2AMEN1GAA
SCHEMBL13443165 0.82 PTGFR (0.40) PTGER1PTGER4PTGER3PTGER2
SCHEMBL3591301 0.82 PTGER1 (0.37) CYP3A4KMT2AMEN1PTGER1PTGER4
SCHEMBL13463187 0.81 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL13009721 0.80 BCHE (0.38) LMNAMAPTKMT2ASTAT3TP53
SCHEMBL3601624 0.79 POLB (0.42) CYP3A4KMT2AMEN1PTGER1PTGER4

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 4 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-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
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.