SCHEMBL2985237

SCHEMBL2985237

COC(=O)CCCCN(CCc1ccccc1O)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.40
CYP4A11 Q02928 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 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
SCHEMBL2997165 0.92 CYP4F2 (0.46) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2989141 0.86 ALDH1A1 (0.47) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13009927 0.85 BCHE (0.41) TDP1LPAR1LPAR5PDE6DBCHE
SCHEMBL13009926 0.85 BCHE (0.41) ALDH1A1KDM4ETDP1LPAR1LPAR5
SCHEMBL6245403 0.84 BCL2L1 (0.39) HTR1AHDAC3HDAC1HDAC2HDAC8
SCHEMBL2996686 0.83 MEP1B (0.45) ALDH1A1HPGDHTR1ACYP4A11MAPT
SCHEMBL13009643 0.83 MAPT (0.43) TP53CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL2992339 0.83 PDE6D (0.43) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2993035 0.83 PTGER1 (0.49) HTR1AMAPTRAB9ABCHEACHE
SCHEMBL13009634 0.83 BCHE (0.39) TP53HPGDKDM4ELPAR1LPAR5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
EP-1368301-B1 SIDE-CHAIN HALOGENATED AMINO CARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-10-31 EP disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20050288366-A1 Novel aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-12-29 US disclosed
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-6939990-B2 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP disclosed
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (6 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ALDH1A1 214/4885TP53 4698/4885CYP1A2 680/4885
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, BCAT1, AADAT ALDH1A1 322/4885TP53 3020/4885CYP1A2 575/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ALDH1A1 214/4885TP53 4698/4885CYP1A2 680/4885
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties SDHA, GOT2, MDH2 ALDH1A1 349/4885TP53 3101/4885CYP1A2 788/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS ALDH1A1 214/4885TP53 4698/4885CYP1A2 680/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT ALDH1A1 236/4885TP53 4825/4885CYP1A2 141/4885

“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.