SCHEMBL5366931

SCHEMBL5366931

CCOC(=O)CC1(c2ccc(NC(C)=O)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 2/20 0.50
PPID Q08752 1/20 0.47
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 6/20 0.42
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.42
SCN2A Q99250 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL7102535 0.84 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1PPIDPKM
SCHEMBL5366646 0.76 GAA (0.47) ALDH1A1KMT2AMEN1POLBPPID
SCHEMBL5363406 0.75 PPID (0.46) ALDH1A1KMT2AMEN1POLBPPID
Ethyl Acetate SCHEMBL27466900 0.70 KMT2A (0.54) ALDH1A1KMT2AMEN1POLBPKM
SCHEMBL10499213 0.68 PPID (0.63) ALDH1A1KMT2AMEN1POLBPPID
SCHEMBL10685516 0.68 PPID (0.63) ALDH1A1KMT2AMEN1PPIDTP53
SCHEMBL1219825 0.68 KMT2A (0.74) ALDH1A1KMT2AMEN1POLBPKM
SCHEMBL19390510 0.67 SMN1; SMN2 (0.67) ALDH1A1KMT2AMEN1POLBTP53
SCHEMBL6986632 0.67 HDAC3 (0.62) ALDH1A1KMT2AMEN1PPIDPKM
SCHEMBL11817229 0.67 PPID (0.55) ALDH1A1KMT2AMEN1PPIDTP53

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-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 WO 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 ALDH1A1 354/4885KMT2A 2556/4885MEN1 3272/4885

“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.