SCHEMBL6045765

SCHEMBL6045765

C=CCc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
VCAM1 P19320 1/20 0.54
ALDH3A1 P30838 2/20 0.50
ALDH1A1 P00352 8/20 0.47
MAPT P10636 6/20 0.47
ALDH1A3 P47895 1/20 0.47
XDH P47989 1/20 0.42
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.39
TTR P02766 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HCAR3 P49019 1/20 0.37

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
SCHEMBL2924523 0.81 ALDH3A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355056 0.80 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL8759780 0.80 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL7080582 0.80 CYP1A2 (0.57) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL30496244 0.80 CYP1A2 (0.57) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL14548858 0.80 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL4575571 0.80 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL27780985 0.79 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL13213567 0.79 S100A4 (0.42) ALDH1A1MAPTLMNACYP1A2GABRA1
SCHEMBL16031271 0.79 CYP3A4 (0.55) ALDH1A1MAPTLMNACYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060134691-A1 Labeling methodology comprising oligopeptides AUER MANFRED 2006-06-22 US disclosed
WO-2004051270-A2 LABELING METHODOLOGY COMPRISING OLIGOPEPTIDES NOVARTIS AG (CH) 2004-06-17 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-20060134691-A1 Labeling methodology comprising oligopeptides RPS27A, NPEPPS, DNPEP ALDH5A1 4641/4885ABAT 2888/4885VCAM1 1679/4885

“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.