SCHEMBL5963778

SCHEMBL5963778

O=[N+]([O-])c1ccc(OCC2CO2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.52
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
HSPB1 P04792 5/20 0.44
DRD4 P21917 3/20 0.43
ALDH1A1 P00352 6/20 0.41
GLA P06280 1/20 0.41
HIF1A Q16665 2/20 0.41
CYP19A1 P11511 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3701823 0.84 MAPT (0.51) PRMT5WDR77HSPB1DRD4ALDH1A1
SCHEMBL30121999 0.84 MAPT (0.51) PRMT5WDR77HSPB1DRD4ALDH1A1
SCHEMBL15244041 0.84 S1PR4 (0.48) S1PR4HSPB1DRD4CYP19A1
SCHEMBL5937140 0.83 PRMT5 (0.49) PRMT5WDR77DRD4ALDH1A1GLA
SCHEMBL19775751 0.83 PRMT5 (0.43) S1PR4PRMT5WDR77DRD4ALDH1A1
SCHEMBL20761098 0.83 TDP1 (0.54) PRMT5WDR77DRD4ALDH1A1GLA
SCHEMBL12835342 0.83 MAPT (0.51) PRMT5WDR77DRD4ALDH1A1CYP3A4
SCHEMBL21469022 0.83 PRMT5 (0.43) S1PR4PRMT5WDR77DRD4ALDH1A1
SCHEMBL2551985 0.83 S1PR4 (0.54) S1PR4HSPB1ALDH1A1HIF1ACYP19A1
SCHEMBL1531394 0.82 DRD4 (0.54) PRMT5WDR77DRD4ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 S1PR4 721/4885PRMT5 4620/4885WDR77 3979/4885

“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.