SCHEMBL5363620

SCHEMBL5363620

CNc1ccc(C2(CC(=O)OC(C)(C)C)CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 2/20 0.35
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
DRD2 P14416 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL5370348 0.83 POLB (0.46) HSD11B1SLC6A4SLC6A3TSHRCASP1
SCHEMBL14525409 0.82 HSD11B1 (0.40) HSD11B1POLBP2RX7ALDH1A1MAPT
SCHEMBL5369331 0.81 POLB (0.43) HSD11B1SLC6A4SLC6A3SLC6A2POLB
SCHEMBL5366689 0.79 CYP2C19 (0.44) HSD11B1TSHRPOLBALDH1A1LMNA
SCHEMBL5645793 0.77 OPRM1 (0.37) HSD11B1ALDH1A1DRD2
SCHEMBL5363504 0.77 POLB (0.40) HSD11B1SLC6A4POLBALDH1A1LMNA
SCHEMBL5366727 0.76 MAPT (0.43) HSD11B1TSHRPOLBALDH1A1LMNA
SCHEMBL5375497 0.74 RPS6KA3 (0.49) TSHRPOLBALDH1A1LMNAMAPT
SCHEMBL5371530 0.73 MAPT (0.45) TSHRPOLBALDH1A1LMNAMAPT
SCHEMBL6903251 0.72 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2

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 HSD11B1 453/4885SLC6A4 3350/4885SLC6A3 4210/4885

“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.