SCHEMBL333389

SCHEMBL333389

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.51
EPHX2 P34913 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL333390 1.00 POLB (0.60) POLBMAPTEPHX2L3MBTL1ALDH1A1
SCHEMBL333499 0.85 SMN1; SMN2 (0.47) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL333500 0.85 SMN1; SMN2 (0.47) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL334168 0.81 GLA (0.49) POLBMAPTEPHX2ALDH1A1LMNA
SCHEMBL334167 0.81 GLA (0.49) POLBMAPTEPHX2ALDH1A1LMNA
SCHEMBL334061 0.81 SMN1; SMN2 (0.55) MAPTEPHX2L3MBTL1LMNASMN1; SMN2
SCHEMBL334060 0.81 SMN1; SMN2 (0.55) MAPTEPHX2L3MBTL1LMNASMN1; SMN2
SCHEMBL333640 0.81 TSHR (0.46) POLBMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL334894 0.81 ALDH1A1 (0.52) MAPTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL334895 0.81 ALDH1A1 (0.52) MAPTL3MBTL1ALDH1A1LMNASMN1; 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 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 POLB 4401/4885MAPT 49/4885EPHX2 3183/4885

“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.