SCHEMBL333615

SCHEMBL333615

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
MAPT P10636 6/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EGFR P00533 1/20 0.47
EPHX2 P34913 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ALOX15 P16050 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
SCHEMBL333616 1.00 TRPV1 (0.53) TRPV1MAPTGAALMNASMN1; SMN2
SCHEMBL334895 0.84 ALDH1A1 (0.52) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL334894 0.84 ALDH1A1 (0.52) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL334253 0.84 ALDH1A1 (0.49) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL334254 0.84 ALDH1A1 (0.49) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL333785 0.84 HPGD (0.53) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL333786 0.84 HPGD (0.53) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1504239 0.81 MEN1 (0.60) TRPV1MAPTGAALMNASMN1; SMN2
SCHEMBL11762586 0.81 MAPT (0.57) TRPV1MAPTGAALMNASMN1; SMN2
SCHEMBL333640 0.79 TSHR (0.46) MAPTGAALMNASMN1; SMN2ALDH1A1

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 TRPV1 1502/4885MAPT 49/4885GAA 2988/4885

“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.