SCHEMBL3589703

SCHEMBL3589703

CC(C)c1oc2cc(O)ccc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ESR1 P03372 5/20 0.51
ESR2 Q92731 3/20 0.50
PPARG P37231 1/20 0.49
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL14185202 0.92 CA12 (0.54) CA12CA9KDM4EALDH1A1CA1
SCHEMBL2181593 0.92 ESR1 (0.59) CA12KDM4EALDH1A1ESR1ESR2
SCHEMBL14185262 0.89 ESR1 (0.51) CA12CA9KDM4EALDH1A1CA1
SCHEMBL14185220 0.88 ALDH1A1 (0.58) CA12CA9KDM4EALDH1A1ESR1
SCHEMBL4941071 0.88 ESR1 (0.64) KDM4EALDH1A1ESR1ESR2PPARG
SCHEMBL14185177 0.88 PPARG (0.51) CA12CA9KDM4EALDH1A1CA1
SCHEMBL14185185 0.87 ALDH1A1 (0.48) CA12CA9KDM4EALDH1A1ESR1
SCHEMBL3577904 0.87 CA1 (0.52) CA12CA9KDM4EALDH1A1CA1
SCHEMBL14185223 0.87 ESR1 (0.48) CA12CA9KDM4EALDH1A1ESR1
SCHEMBL10815394 0.86 ALDH1A1 (0.71) CA12CA9KDM4EALDH1A1CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732435-B2 Chromone derivatives useful as antagonists of VR1 receptors NOVARTIS AG (CH) 2010-06-08 US disclosed
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors CULSHAW ANDREW JAMES 2008-12-18 US disclosed
EP-1963334-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS Novartis AG (CH) 2008-09-03 EP disclosed
US-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists NOVARTIS AG (CH) 2008-05-15 US disclosed
US-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists NOVARTIS AG (CH) 2008-05-15 US disclosed
US-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists NOVARTIS AG (CH) 2008-05-15 US disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 WO disclosed
EP-1756080-A1 CHROMONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS Novartis AG (CH) 2007-02-28 EP disclosed
WO-2005121116-A1 CHROMONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2005-12-22 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-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists TRPV1, CHRM3, TRPV3 CA12 1499/4885CA9 1277/4885KDM4E 2179/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 CA12 3779/4885CA9 3678/4885KDM4E 4415/4885

“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.