SCHEMBL6042780

SCHEMBL6042780

CNC(=O)c1ccc(C(=O)OC)c(OCCCCOC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.46
PLK1 P53350 3/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6043243 0.92 SMPD1 (0.48) SMPD1PLK1ALDH1A1HPGDHTT
SCHEMBL6043918 0.90 MAPT (0.51) SMPD1KDM4EMAPTKMT2ATDP1
SCHEMBL6043239 0.89 SMPD1 (0.46) SMPD1PLK1
SCHEMBL6043995 0.89 TSHR (0.47) MAPTTSHR
SCHEMBL22160224 0.87 ALDH1A1 (0.51) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL6043552 0.86 MAPK1 (0.47) SMPD1KDM4EMAPTKMT2ATDP1
SCHEMBL15417883 0.84 TDP1 (0.50) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL6043581 0.83 ALDH1A1 (0.43) SMPD1KDM4EMAPTTDP1ALDH1A1
SCHEMBL20982560 0.82 MAPT (0.56) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL6042928 0.81 CA12 (0.54) KDM4EMAPTKMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 SMPD1 83/4885PLK1 4847/4885KDM4E 1951/4885

“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.