SCHEMBL6042793

SCHEMBL6042793

COCCCCOc1cc(OCCN2CCOCC2)ccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
PPARG P37231 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6043297 0.90 KDM4E (0.54) LMNAPPARGTHRBSMN1; SMN2GAA
SCHEMBL6042774 0.89 MEN1 (0.61) GAAKDM4ETSHRMEN1KMT2A
SCHEMBL6043609 0.83 KMT2A (0.53) LMNASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6042791 0.83 CYP2C9 (0.60) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL19859010 0.83 TSHR (0.64) GAAALDH1A1KDM4ENPC1TSHR
SCHEMBL30344157 0.82 NPC1 (0.59) LMNAPPARGSMN1; SMN2GAAALDH1A1
SCHEMBL28801522 0.81 LMNA (0.62) LMNAALDH1A1HRH3
SCHEMBL21712335 0.80 KDM4E (0.60) PPARGGAAALDH1A1KDM4ENPC1
SCHEMBL6044278 0.80 MEN1 (0.72) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6042831 0.79 MAOB (0.57) GAAALDH1A1KDM4EMEN1KMT2A

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 LMNA 1636/4885PPARG 2321/4885THRB 1595/4885

“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.