SCHEMBL2885997

SCHEMBL2885997

COC(=O)c1ccc(CNCCc2ccc(F)cc2OCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPY1R P25929 1/20 0.40
HTT P42858 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
PAX8 Q06710 2/20 0.39
BCHE P06276 1/20 0.39
CNR1 P21554 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
SCHEMBL6696278 0.87 FFAR4 (0.43) FFAR4ALOX5APFEN1RAB9ANPC1
SCHEMBL4936414 0.87 FFAR4 (0.53) FFAR4RAB9ANPC1SMN1; SMN2PPARG
SCHEMBL2886631 0.81 FFAR4 (0.46) FFAR4PPARDPPARACNR1CNR2
SCHEMBL2889790 0.79 FFAR4 (0.41) FFAR4ALOX5APFEN1RAB9ALMNA
SCHEMBL4936500 0.78 FFAR4 (0.57) FFAR4PPARA
SCHEMBL2889244 0.76 FFAR4 (0.46) FFAR4HTR2A
SCHEMBL2985236 0.74 HTR2A (0.58) LMNASMN1; SMN2KDM4ENPY1RHTT
SCHEMBL2890267 0.72 HTR2A (0.47) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2987073 0.72 BCHE (0.57) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2293341 0.72 BCHE (0.55) RAB9ANPC1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7067694-B2 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
US-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 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 (2 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-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, DDC, AADAT FFAR4 321/4885ALOX5AP 2757/4885FEN1 3738/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 FFAR4 45/4885ALOX5AP 371/4885FEN1 4154/4885

“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.