SCHEMBL6042858

SCHEMBL6042858

COCCCCOc1cc(CN2CCOCC2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CHEK1 O14757 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44

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
SCHEMBL6043609 0.90 KMT2A (0.53) TSHRKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6043599 0.90 MEN1 (0.50) TSHRKMT2AMEN1HIF1A
SCHEMBL27467935 0.89 LMNA (0.52) TSHRKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6043491 0.88 MEN1 (0.52) TSHRKMT2AMEN1LMNAHIF1A
SCHEMBL6043633 0.87 RAB9A (0.48) KMT2AMEN1NPC1TP53HPGD
SCHEMBL6044203 0.85 HRH3 (0.49) KMT2AMEN1TP53KDM4EALDH1A1
SCHEMBL6043297 0.83 KDM4E (0.54) TSHRKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6043529 0.79 KMT2A (0.49) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL6043352 0.79 CYP2C9 (0.60) TSHRKMT2ATP53HPGDLMNA
SCHEMBL6043654 0.78 KMT2A (0.51) TSHRKMT2AMEN1LMNAKDM4E

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 5 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
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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 TSHR 1945/4885KMT2A 2309/4885SMN1; SMN2 1043/4885

“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.