SCHEMBL3590618

SCHEMBL3590618

O=CC(CCCCC(=O)O)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NFKB1 P19838 2/20 0.50
TSHR P16473 1/20 0.50
PMP22 Q01453 1/20 0.50
GSTK1 Q9Y2Q3 2/20 0.48
ENPEP Q07075 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP2D6 P10635 1/20 0.42
FOLH1 Q04609 1/20 0.42
ABCC4 O15439 1/20 0.41
MAPT P10636 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
SCHEMBL27503227 0.98 GSTK1 (0.52) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL17062942 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL27537052 0.90 FFAR1 (0.56) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL12498852 0.88 LMNA (0.43) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL17062997 0.88 ALDH1A1 (0.58) LMNATSHRSLC22A6FFAR4FFAR1
SCHEMBL9764706 0.88 FFAR4 (0.65) LMNATSHRSLC22A6FFAR4FFAR1
SCHEMBL11847071 0.88 FFAR4 (0.65) LMNATSHRSLC22A6FFAR4FFAR1
SCHEMBL13724712 0.88 FFAR4 (0.65) LMNATSHRSLC22A6FFAR4FFAR1
SCHEMBL17062940 0.88 ALDH1A1 (0.58) LMNATSHRSLC22A6FFAR4FFAR1
SCHEMBL17063010 0.86 TSHR (0.55) LMNANFKB1TSHRPMP22SLC22A6

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 5 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-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 LMNA 2227/4885NFKB1 1054/4885TSHR 4367/4885

“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.