SCHEMBL6042900

SCHEMBL6042900

COCCCCOc1cc(OCC#N)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
SLC2A1 P11166 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2586383 0.87 KMT2A (0.46) TDP1KDM4EALDH1A1MAPTHTT
SCHEMBL6043269 0.82 CYSLTR2 (0.51) TDP1KDM4EALDH1A1LMNAHSP90AA1
SCHEMBL384675 0.81 MAPT (0.53) TDP1KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL29032437 0.80 CA12 (0.57) KDM4EALDH1A1LMNAMAOBMAOA
SCHEMBL6043915 0.80 THRA (0.53) KDM4EALDH1A1LMNAMAPT
SCHEMBL6042849 0.79 NPC1 (0.58) KDM4EALDH1A1LMNAMAOBGAA
SCHEMBL6042928 0.78 CA12 (0.54) TDP1KDM4EALDH1A1LMNAHSP90AA1
SCHEMBL6043918 0.78 MAPT (0.51) TDP1KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL6043225 0.78 HTT (0.61) TDP1KDM4EALDH1A1LMNAHSP90AA1
SCHEMBL16482859 0.78 MAOA (0.54) TDP1KDM4EALDH1A1HSP90AA1MAPT

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 3 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

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 TDP1 381/4885KDM4E 1951/4885ALDH1A1 1039/4885

“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.