SCHEMBL6042656

SCHEMBL6042656

CC(=O)NCCOc1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.68
MTNR1B P49286 4/20 0.68
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 5/20 0.62
HPGD P15428 3/20 0.62
KMT2A Q03164 2/20 0.61
PTK2B Q14289 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
FOLH1 Q04609 1/20 0.52
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL26731029 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDKMT2APTK2B
SCHEMBL10340062 0.83 NPC1 (0.65) ALDH1A1HPGDKMT2APTK2BMAPK1
SCHEMBL10495038 0.82 NPC1 (0.74) ALDH1A1KDM4EHPGDKMT2APTK2B
SCHEMBL10495009 0.82 NPC1 (0.63) ALDH1A1HPGDKMT2APTK2BMAPK1
SCHEMBL375504 0.81 KMT2A (0.54) MTNR1AMTNR1BALDH1A1KDM4EKMT2A
SCHEMBL2049483 0.81 ALDH1A1 (0.89) ALDH1A1KDM4EHPGDKMT2APTK2B
SCHEMBL30211332 0.81 ALDH1A1 (0.89) ALDH1A1KDM4EHPGDKMT2APTK2B
SCHEMBL6195294 0.81 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL16063125 0.81 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL6196730 0.81 MTNR1A (0.77) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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 4 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
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 MTNR1A 677/4885MTNR1B 623/4885ALDH1A1 1039/4885

“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.