SCHEMBL333785

SCHEMBL333785

CCOC(=O)/C=C(/CC(=O)OCC)Nc1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MTNR1B P49286 2/20 0.53
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
USP2 O75604 1/20 0.47
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL333786 1.00 HPGD (0.53) HPGDALDH1A1MTNR1BMAPTKDM4E
SCHEMBL333499 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL333500 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL333615 0.84 TRPV1 (0.53) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL333616 0.84 TRPV1 (0.53) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL334254 0.83 ALDH1A1 (0.49) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL334253 0.83 ALDH1A1 (0.49) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11188238 0.82 HPGD (0.68) HPGDALDH1A1MTNR1BMAPTKDM4E
SCHEMBL12891827 0.80 NPC1 (0.59) HPGDALDH1A1MTNR1BMAPTKDM4E
SCHEMBL333977 0.79 GAA (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG HPGD 273/4885ALDH1A1 2276/4885MTNR1B 134/4885

“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.