SCHEMBL6042670

SCHEMBL6042670

CCOC(=O)c1ncccc1OCCCCOC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
PTPN1 P18031 1/20 0.45
TDP2 O95551 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
TBXAS1 P24557 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
PDE4A P27815 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER4 P35408 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 1/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL7267932 0.87 BRD4 (0.56) BRD4PTPN1TDP2TDP1HTT
SCHEMBL31471103 0.85 BRD4 (0.60) BRD4TDP2POLBHTTKDM4E
SCHEMBL27492257 0.84 BRD4 (0.58) BRD4TDP2MAPTHTTPDE4A
SCHEMBL6042801 0.82 PTPN1 (0.51) PTPN1MAPTHTTKDM4EGAA
SCHEMBL9440298 0.82 LMNA (0.57) PTPN1TDP1MAPTPOLBKDM4E
SCHEMBL27466976 0.81 LMNA (0.46) PTPN1MAPTPOLBHTTKDM4E
SCHEMBL13313473 0.81 BRD4 (0.56) BRD4PTPN1TDP2TDP1HTT
SCHEMBL1514835 0.80 BRD4 (0.55) BRD4PTPN1TDP2MAPTKDM4E
SCHEMBL29604747 0.80 BRD4 (0.55) BRD4PTPN1TDP2MAPTKDM4E
SCHEMBL4066351 0.80 ALDH1A1 (0.49) BRD4PTPN1TDP1KDM4EPDE4A

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 BRD4 3245/4885PTPN1 4034/4885TDP2 468/4885

“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.