SCHEMBL3337249

SCHEMBL3337249

CCCc1c(OC)ccc(C=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.51
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
TLR6 Q9Y2C9 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 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
SCHEMBL7273581 0.87 ERN1 (0.51) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1654624 0.87 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6213995 0.82 ALDH1A1 (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3881769 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL3881959 0.80 CYSLTR2 (0.43) ERN1TLR2TLR1TLR6CYSLTR2
SCHEMBL5517444 0.79 MEN1 (0.53) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3333141 0.79 ERN1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL7272620 0.79 ALOX5 (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL10959657 0.79 ERN1 (0.48) ERN1CYSLTR2CYSLTR1L3MBTL1
SCHEMBL6232353 0.78 CETP (0.49) ALDH1A1

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-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 US disclosed
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 EP disclosed
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 WO disclosed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 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 (2 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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 ERN1 1633/4885TLR2 3287/4885TLR1 3515/4885
US-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 ERN1 908/4885TLR2 2753/4885TLR1 3070/4885

“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.