SCHEMBL580391

SCHEMBL580391

CCc1ccc(OC)c(C(CC(=O)OC)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 5/20 0.45
GAA P10253 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TNF P01375 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL5198568 0.90 NPSR1 (0.47) NPSR1MAPK1KMT2AGAAPDE4A
SCHEMBL2789512 0.84 KMT2A (0.54) NPSR1MAPK1KMT2AGAAPDE4A
SCHEMBL9228927 0.83 LMNA (0.55) NPSR1MAPK1KMT2ALMNAMAPT
SCHEMBL6054843 0.82 CHRM2 (0.43) NPSR1MAPK1KMT2APDE4ALMNA
SCHEMBL580171 0.81 TNF (0.49) NPSR1MAPK1KMT2AGAAPDE4A
SCHEMBL579637 0.80 CHRM2 (0.46) NPSR1MAPK1KMT2ALMNAMAPT
SCHEMBL579976 0.80 CHRM2 (0.46) NPSR1MAPK1KMT2ALMNAMAPT
SCHEMBL580492 0.80 CHRM2 (0.46) NPSR1MAPK1KMT2ALMNAMAPT
SCHEMBL5199596 0.80 IDO1 (0.39) NPSR1MAPK1KMT2APDE4ALMNA
SCHEMBL13761466 0.78 ADRB2 (0.45) KMT2ALMNAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 US 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 NPSR1 2009/4885MAPK1 2055/4885KMT2A 1676/4885

“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.