SCHEMBL3591129

SCHEMBL3591129

COC(=O)CCCCC(CCc1ccccc1O)Oc1ccc(C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13443503 0.84 PPARD (0.44) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL3589134 0.83 PPARG (0.35) MAPTRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL6001865 0.82 PPARG (0.43) MAPTRAB9APPARGPPARATDP1
SCHEMBL13443505 0.79 L3MBTL1 (0.47) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL6002376 0.79 NPSR1 (0.44) MAPTRAB9ANPC1CA1CA2
SCHEMBL13443506 0.78 L3MBTL1 (0.46) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL13443171 0.78 PPARG (0.43) MAPTRAB9ANPC1CA1PKM
SCHEMBL13443507 0.77 KEAP1 (0.44) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL13443487 0.77 PPARG (0.40) MAPTRAB9APKMTP53HPGD
SCHEMBL3602387 0.76 MAPT (0.37) MAPTRAB9ANPC1PKMALDH1A1

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 9 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-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
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO 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 MAPT 2293/4885RAB9A 3540/4885NPC1 965/4885

“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.