SCHEMBL334060

SCHEMBL334060

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
TRPV1 Q8NER1 5/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL334061 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLMNATRPV1TSHR
SCHEMBL334894 0.84 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNATSHRMEN1
SCHEMBL333640 0.84 TSHR (0.46) SMN1; SMN2MAPTLMNATSHRKMT2A
SCHEMBL333639 0.84 TSHR (0.46) SMN1; SMN2MAPTLMNATSHRKMT2A
SCHEMBL334895 0.84 ALDH1A1 (0.52) SMN1; SMN2MAPTLMNATSHRMEN1
SCHEMBL334254 0.83 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNATSHRMEN1
SCHEMBL334253 0.83 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNATSHRMEN1
SCHEMBL333500 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL333618 0.83 MAPT (0.53) SMN1; SMN2MAPTLMNATSHRMEN1
SCHEMBL333499 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAMEN1KMT2A

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 3963/4885MAPT 49/4885LMNA 3579/4885

“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.