SCHEMBL6042782

SCHEMBL6042782

COCCCCCOc1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 2/20 0.65
PTK2B Q14289 1/20 0.65
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 1/20 0.56
CYP2C9 P11712 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 5/20 0.54

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
SCHEMBL6044048 0.98 ALDH1A1 (0.67) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL3383338 0.95 ALDH1A1 (0.67) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL8926671 0.91 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL571511 0.91 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL29400029 0.91 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL1505142 0.90 ALDH1A1 (0.74) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL26355092 0.89 ALDH1A1 (0.73) ALDH1A1KMT2APTK2BLMNASMN1; SMN2
SCHEMBL1274781 0.87 KMT2A (0.74) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL527254 0.87 KMT2A (0.74) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL112985 0.87 KMT2A (0.74) ALDH1A1KMT2APTK2BLMNAMAPT

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 ALDH1A1 1039/4885KMT2A 2309/4885PTK2B 4453/4885

“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.