SCHEMBL6043818

SCHEMBL6043818

COc1ccccc1Cn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
TP53 P04637 2/20 0.64
ALDH1A1 P00352 2/20 0.59
CNR2 P34972 3/20 0.57
MCL1 Q07820 1/20 0.56
BAD Q92934 1/20 0.56
CHRM1 P11229 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
NOD2 Q9HC29 1/20 0.54
CPT1A P50416 1/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
CNR1 P21554 2/20 0.52
GALR3 O60755 1/20 0.51
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL27707843 0.86 TP53 (0.63) MAPTTP53ALDH1A1CNR2RAB9A
SCHEMBL14595221 0.86 CPT1A (0.60) MAPTTP53ALDH1A1CHRM1CPT1A
SCHEMBL9029071 0.83 TP53 (0.59) MAPTTP53ALDH1A1CNR2MCL1
SCHEMBL2932156 0.81 TP53 (0.65) MAPTTP53CNR2CHRM1LMNA
SCHEMBL14927230 0.80 RAB9A (0.78) MAPTTP53ALDH1A1CNR2RAB9A
SCHEMBL7386110 0.80 LMNA (0.55) MAPTALDH1A1RAB9ANPC1NOD2
SCHEMBL5068907 0.77 ALDH1A1 (0.56) MAPTALDH1A1CNR2CHRM1KMT2A
SCHEMBL8690882 0.77 TDP1 (0.65) MAPTTP53ALDH1A1RAB9ANPC1
SCHEMBL1606606 0.77 LMNA (0.80) MAPTALDH1A1CNR2CHRM1KMT2A
SCHEMBL3858482 0.77 TP53 (0.53) MAPTTP53ALDH1A1KMT2AMEN1

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 MAPT 282/4885TP53 1771/4885ALDH1A1 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.