SCHEMBL3681024

SCHEMBL3681024

CCOC(=O)CCCCC(CCc1ccccc1O)Cc1ccc(C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
EPHX2 P34913 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13443295 0.85 DHFR (0.40) CYP4F2CYP4A11SMN1; SMN2EPHX2L3MBTL1
SCHEMBL13443297 0.85 DHFR (0.40) CYP4F2CYP4A11SMN1; SMN2L3MBTL1MAPT
SCHEMBL13443296 0.84 LTB4R (0.40) CYP4F2CYP4A11SMN1; SMN2L3MBTL1MAPT
SCHEMBL13443298 0.84 DHFR (0.40) CYP4F2CYP4A11SMN1; SMN2EPHX2L3MBTL1
SCHEMBL13443293 0.83 PTGER1 (0.48) CYP4F2CYP4A11SMN1; SMN2L3MBTL1MAPT
SCHEMBL13443294 0.82 PTGER1 (0.40) CYP4F2CYP4A11SMN1; SMN2EPHX2L3MBTL1
SCHEMBL13443299 0.82 PTGER1 (0.40) CYP4F2CYP4A11SMN1; SMN2EPHX2L3MBTL1
SCHEMBL9442258 0.81 L3MBTL1 (0.44) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3593772 0.80 L3MBTL1 (0.43) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP2D6
SCHEMBL13443442 0.80 CYP4F2 (0.43) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP2D6

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 CYP4F2 361/4885CYP4A11 716/4885SMN1; SMN2 3741/4885

“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.