SCHEMBL334280

SCHEMBL334280

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)c(Cl)cc2n1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
P4HB P07237 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL333386 0.78 ALDH1A1 (0.38) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL334043 0.77 PTGES (0.61) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL333940 0.77 PTGES (0.44) POLBMAPTPTGESKMT2AMEN1
SCHEMBL29059274 0.76 KMT2A (0.60) ALDH1A1MAPTCYP2C9CYP2C19LMNA
SCHEMBL333651 0.73 USP14 (0.44) MAPTPTGESKMT2AMEN1ALOX5
SCHEMBL333920 0.73 KMT2A (0.57) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL333454 0.72 MEN1 (0.74) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL333699 0.72 MAPT (0.61) MAPTLMNANPSR1GAAHTT
SCHEMBL333935 0.72 ALOX5 (0.52) POLBMAPTKMT2AMEN1ALOX5
SCHEMBL29059296 0.72 MEN1 (0.53) POLBMAPTHTTKMT2AMEN1

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 ALDH1A1 2276/4885POLB 4401/4885MAPT 49/4885

“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.