SCHEMBL334895

SCHEMBL334895

CCOC(=O)C=C(CC(=O)OCC)Nc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL334894 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL333640 0.89 TSHR (0.46) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL333639 0.89 TSHR (0.46) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL333205 0.86 LMNA (0.50) L3MBTL1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL333204 0.86 LMNA (0.50) L3MBTL1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL334254 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL334253 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL333618 0.85 MAPT (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL333500 0.85 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2
SCHEMBL333499 0.85 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2

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
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
CN-101142185-A Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-03-12 CN 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 ALDH1A1 2276/4885L3MBTL1 2281/4885KMT2A 3484/4885

“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.