SCHEMBL5369495

SCHEMBL5369495

O=C(O)C1(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.46
MAPK1 P28482 1/20 0.44
CTSD P07339 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.41
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL30937544 1.00 AKR1C1 (0.46) AKR1C1MAPK1CTSDMAPTALDH1A1
SCHEMBL5368690 0.95 AKR1C1 (0.49) AKR1C1MAPK1CTSDMAPTALDH1A1
SCHEMBL9125609 0.88 ALDH1A1 (0.43) MAPK1CTSDMAPTALDH1A1TDP1
SCHEMBL5366796 0.85 ALDH1A1 (0.41) MAPK1CTSDMAPTALDH1A1TDP1
SCHEMBL30937736 0.81 NPSR1 (0.49) MAPK1CTSDMAPTALDH1A1TDP1
SCHEMBL17241125 0.79 CYP1A2 (0.49) MAPK1MAPTALDH1A1TDP1CYP1A2
SCHEMBL7819806 0.78 MEN1 (0.48) KMT2AMEN1KDM4ENPSR1
SCHEMBL17202883 0.77 SIGMAR1 (0.46) MAPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL8097310 0.76 CYP1A2 (0.47) MAPK1MAPTALDH1A1TDP1CYP1A2
SCHEMBL15108974 0.74 AKR1C1 (0.55) AKR1C1MAPTALDH1A1TDP1KMT2A

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 AKR1C1 459/4885MAPK1 1073/4885CTSD 3161/4885

“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.