SCHEMBL6042928

SCHEMBL6042928

COCCCCOc1cc(O)ccc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 8/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL6043225 0.85 HTT (0.61) TDP1HSP90AA1MAPTHTTNPSR1
SCHEMBL27492782 0.85 KMT2A (0.49) MAPTHTTKDM4EKMT2ASMN1; SMN2
SCHEMBL6043918 0.85 MAPT (0.51) TDP1HSP90AA1MAPTHTTNPSR1
SCHEMBL6043995 0.84 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL3192286 0.83 TDP1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL22160224 0.82 ALDH1A1 (0.51) TDP1HSP90AA1MAPTHTTNPSR1
SCHEMBL3078708 0.82 MAPT (0.65) TDP1HSP90AA1MAPTHTTNPSR1
SCHEMBL6042780 0.81 SMPD1 (0.46) TDP1HSP90AA1MAPTHTTNPSR1
SCHEMBL6043552 0.81 MAPK1 (0.47) TP53MAPK1TDP1HSP90AA1MAPT
SCHEMBL27451602 0.81 TSHR (0.43) NPC1TP53MAPK1TDP1HSP90AA1

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 CA12 511/4885CA1 32/4885CA2 251/4885

“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.