SCHEMBL3594253

SCHEMBL3594253

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
LMNA P02545 5/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPRB P23467 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL23930706 0.80 TSHR (0.52) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL14975 0.79 TSHR (0.88) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL27953228 0.79 TSHR (0.88) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL1909002 0.78 TSHR (0.61) TSHRLMNAALDH1A1RECQLKMT2A
Acetic Acid SCHEMBL28197392 0.77 TSHR (0.74) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL12933269 0.77 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL21146581 0.77 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL22712309 0.77 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL2254876 0.77 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL24383921 0.77 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A

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 4367/4885LMNA 2227/4885ALDH1A1 302/4885

“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.