SCHEMBL6044940

SCHEMBL6044940

COCCCCOc1cc(OCC(=O)OC(C)(C)C)ccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MDH1 P40925 1/20 0.38
MDH2 P40926 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 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
SCHEMBL6043269 0.84 CYSLTR2 (0.51) ALDH1A1MAPTNPSR1CYP2C9TDP1
SCHEMBL6043581 0.81 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HPGDMDH1
SCHEMBL3898684 0.78 CA12 (0.53) MAPTCYP2C19PPARG
SCHEMBL384675 0.78 MAPT (0.53) ALDH1A1MAPTNPSR1HPGDCYP2C9
SCHEMBL20510109 0.78 FFAR4 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6043915 0.77 THRA (0.53) ALDH1A1KMT2AMAPT
SCHEMBL6042900 0.77 TDP1 (0.40) ALDH1A1MAPTNPSR1TDP1HSP90AA1
SCHEMBL4963837 0.76 PTPN1 (0.47) MEN1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL6042849 0.76 NPC1 (0.58) MEN1ALDH1A1KMT2AHPGDMAOB
SCHEMBL3197902 0.75 CA12 (0.54) MEN1KMT2AMAPTTDP1

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 PSEN1 4/4885PSEN2 9/4885APH1B 12/4885

“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.