SCHEMBL3590675

SCHEMBL3590675

O=C(O)CCCCC(CCCCC(=O)O)CCc1ccccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.47
PTGER1 P34995 3/20 0.43
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
S1PR1 P21453 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL13443325 0.91 PTGER1 (0.48) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL3596961 0.84 PTGER1 (0.47) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443533 0.84 PTGER1 (0.46) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443520 0.84 PTGER1 (0.46) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443517 0.83 PTGER1 (0.46) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443519 0.82 PTGER1 (0.45) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443165 0.81 PTGFR (0.40) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL3591301 0.81 PTGER1 (0.37) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13443292 0.80 MEN1 (0.38) PTGER1PTGER4PTGER3PTGER2CYP3A4
SCHEMBL3601150 0.79 FFAR4 (0.44) FFAR4PTGER1PTGER4PTGER3PTGER2

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 FFAR4 368/4885PTGER1 633/4885PTGER4 866/4885

“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.