SCHEMBL3601913

SCHEMBL3601913

COC(=O)CCCCC(C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC1A1 P43005 1/20 0.46
RECQL P46063 2/20 0.42
PABPC1 P11940 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KMT2A Q03164 4/20 0.40
PPARG P37231 1/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11598804 0.85 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1RECQL
SCHEMBL6138555 0.85 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL31079632 0.84 LMNA (0.46) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL31079601 0.84 LMNA (0.46) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL233224 0.83 LTA4H (0.56) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL11526413 0.83 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1RECQL
SCHEMBL3573769 0.83 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1SLC1A1
SCHEMBL11526472 0.83 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1RECQL
SCHEMBL11524968 0.83 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1RECQL
SCHEMBL7887228 0.82 SLC1A1 (0.59) TSHRL3MBTL1SLC1A1

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 TSHR 4367/4885L3MBTL1 4835/4885LMNA 2227/4885

“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.