SCHEMBL5375513

SCHEMBL5375513

CC(C)(C)OC(=O)CC1(c2ccccc2N)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDK2 Q15119 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
PTPRC P08575 2/20 0.32
CFTR P13569 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GRM6 O15303 1/20 0.32

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
SCHEMBL5375591 0.79 ALDH1A1 (0.42) ALDH1A1PDK2MAPT
SCHEMBL5363504 0.77 POLB (0.40) ALDH1A1GAA
SCHEMBL6902847 0.73 NPC1 (0.40)
SCHEMBL5370348 0.71 POLB (0.46) ALDH1A1
SCHEMBL5369331 0.71 POLB (0.43) ALDH1A1GAA
SCHEMBL1231515 0.71 APEX1 (0.45) PDK2MAPTTHRBPTPRCMTNR1A
SCHEMBL5645793 0.71 OPRM1 (0.37) ALDH1A1KDM4EGAAMTNR1AMTNR1B
SCHEMBL14525409 0.70 HSD11B1 (0.40) ALDH1A1GAAMAPT
SCHEMBL13548800 0.70 LMNA (0.44) KDM1APDK2
SCHEMBL5271185 0.69 MTNR1A (0.47) ALDH1A1KDM4EHSD17B10CFTRMTNR1A

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 KDM1A 1862/4885ALDH1A1 354/4885KDM4E 3403/4885

“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.