SCHEMBL6401258

SCHEMBL6401258

CCOC(=O)CCCCN(CCc1ccccc1OCc1ccc(-c2ccc(OC)cc2)cc1F)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 2/20 0.36
CETP P11597 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 1/20 0.36
PDE6D O43924 1/20 0.36
ESR1 P03372 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL14396751 0.94 CETP (0.39) MAPTCETPHDAC1HDAC6ACHE
SCHEMBL13009752 0.91 MAPT (0.42) LPAR1LPAR5MAPTACHELMNA
SCHEMBL13009801 0.87 CETP (0.44) MAPTCETPACHEPDE6DLMNA
SCHEMBL13009787 0.86 LMNA (0.38) NR1H4MAPTCETPACHEPDE6D
SCHEMBL13009809 0.86 MAPT (0.44) LPAR1LPAR5MAPTCETPACHE
SCHEMBL13009844 0.85 MAPT (0.40) LPAR1LPAR5NR1H4MAPTCETP
SCHEMBL5275145 0.85 LPAR1 (0.43) LPAR1LPAR5S1PR1
SCHEMBL13009701 0.85 MAPT (0.43) MAPTCETPACHEPDE6DLMNA
SCHEMBL13009738 0.85 MAPT (0.43) LPAR1LPAR5MAPTCETPACHE
SCHEMBL13009794 0.85 MAPT (0.42) NR1H4MAPTCETPACHEESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939989-B2 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US 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-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, BCAT1, AADAT LPAR1 4651/4885LPAR5 4393/4885NR1H4 114/4885

“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.