SCHEMBL3594773

SCHEMBL3594773

CCOC(=O)CCCCC(C=O)Cc1ccc(C(=O)OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
SLC22A2 O15244 1/20 0.41
TMPRSS2 O15393 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL6138542 0.93 CYP4Z1 (0.41) SMN1; SMN2L3MBTL1EPHX2KMT2ALMNA
SCHEMBL2294774 0.83 CYP4Z1 (0.39) CYP3A4TSHRCYP4Z1MAPTTDP1
SCHEMBL3600555 0.83 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CA12CA1CA2
SCHEMBL3594770 0.82 CYP4A11 (0.43) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL27623425 0.82 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CA12CA1CA2
SCHEMBL9442220 0.81 FOLH1 (0.48) SMN1; SMN2L3MBTL1CA12CA1CA2
SCHEMBL9442258 0.81 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1CA12CA1CA2
SCHEMBL9658901 0.81 ALDH1A1 (0.47) CYP3A4TSHRHPGDMAPTTDP1
SCHEMBL3593772 0.81 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1CA12CA1CA2
SCHEMBL4547658 0.79 CYP1A2 (0.39) SMN1; SMN2CYP1A2KMT2ALMNACYP3A4

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 14 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
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 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
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-5221760-A Intermediates, leukotriene antagonists BAYER AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
US-5159097-A An arylphosphorous compound as chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0341551-B1 ALKENOIC ACID DERIVATIVES BAYER AG (DE) 1992-04-01 EP disclosed
US-5041638-A Leucotriene antagonist; treatment of respiratory system disorders, cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0341551-A1 Alkenoic acid derivatives BAYER AG (DE) 1989-11-15 EP 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 SMN1; SMN2 3741/4885L3MBTL1 4835/4885CA12 980/4885

“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.