SCHEMBL333499

SCHEMBL333499

CCOC(=O)/C=C(/CC(=O)OCC)Nc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TGM2 P21980 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
KLK7 P49862 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL333500 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL334168 0.86 GLA (0.49) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL334167 0.86 GLA (0.49) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL334895 0.85 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL333640 0.85 TSHR (0.46) SMN1; SMN2RAB9AMAPTALDH1A1MAPK1
SCHEMBL334894 0.85 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL333639 0.85 TSHR (0.46) SMN1; SMN2RAB9AMAPTALDH1A1MAPK1
SCHEMBL333389 0.85 POLB (0.60) SMN1; SMN2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL333785 0.85 HPGD (0.53) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL333786 0.85 HPGD (0.53) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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-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

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 SMN1; SMN2 3963/4885NPC1 4688/4885RAB9A 2586/4885

“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.