SCHEMBL6043225

SCHEMBL6043225

COCCCCOc1cc(C)ccc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
MAPT P10636 3/20 0.61
HSP90AA1 P07900 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 3/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
HPGD P15428 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL3078708 0.97 MAPT (0.65) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL498071 0.89 HTT (0.63) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL6042705 0.88 MAPT (0.59) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL6042575 0.86 TSHR (0.53) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL6042928 0.85 CA12 (0.54) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL6043918 0.85 MAPT (0.51) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL9125892 0.84 HTT (0.53) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL3080754 0.84 MAPT (0.61) HTTMAPTHSP90AA1NPSR1KDM4E
SCHEMBL6043995 0.84 TSHR (0.47) MAPTTSHR
SCHEMBL88798 0.83 LMNA (0.60) HTTMAPTHSP90AA1NPSR1KDM4E

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 HTT 161/4885MAPT 282/4885HSP90AA1 4032/4885

“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.