SCHEMBL9540871

SCHEMBL9540871

COc1ccc(CN(CCCCC(=O)O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
MEP1B Q16820 2/20 0.54
PDE4B Q07343 1/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
LTB4R Q15722 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
FFAR1 O14842 2/20 0.49
NR1H3 Q13133 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9172532 0.95 MEP1B (0.58) ACHEBCHEMEP1BPDE4BUSP2
SCHEMBL14066026 0.94 ACHE (0.51) ACHEBCHEMEP1BPDE4BUSP2
SCHEMBL27200631 0.89 MEP1B (0.60) ACHEBCHEMEP1BPDE4BUSP2
SCHEMBL8987649 0.83 MEP1B (0.55) ACHEBCHEMEP1BUSP2TSHR
SCHEMBL28182017 0.81 MEP1B (0.52) ACHEBCHEMEP1BPDE4BUSP2
SCHEMBL18942071 0.80 ALDH1A1 (0.54) ACHEMEP1BUSP2TSHRFFAR1
SCHEMBL4327317 0.80 HDAC1 (0.71) ACHEBCHEHDAC3HDAC1HDAC2
SCHEMBL27379392 0.80 BCHE (0.43) ACHEBCHEMEP1BTSHRLTB4R
SCHEMBL28987474 0.79 USP2 (0.53) ACHEBCHEMEP1BPDE4BUSP2
SCHEMBL15456409 0.79 HDAC1 (0.71) ACHEBCHEHDAC3HDAC1HDAC2

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 18 patents. 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-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-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 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-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-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
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-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 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 (3 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 ACHE 4159/4885BCHE 2440/4885MEP1B 1336/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS ACHE 4159/4885BCHE 2440/4885MEP1B 1336/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC ACHE 3444/4885BCHE 1895/4885MEP1B 511/4885

“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.