SCHEMBL3584855

SCHEMBL3584855

CC(C)c1oc2c(C=O)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ERN1 O75460 3/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
PIK3CA P42336 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL14185221 0.89 ERN1 (0.46) GAAERN1KDM4EALDH1A1POLB
SCHEMBL14185248 0.83 GAA (0.54) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL14185239 0.83 GAA (0.54) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL3594570 0.83 GAA (0.54) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL3580492 0.81 GAA (0.52) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL3593551 0.81 GAA (0.52) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL14185176 0.81 KDM4E (0.53) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL14185225 0.81 KDM4E (0.53) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL14185251 0.81 GAA (0.51) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL14185173 0.81 GAA (0.51) GAAKDM4EALDH1A1POLBHPGD

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 7 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
CN-101321765-A Chromone derivatives useful as antagonists of VR1 receptors NOVARTIS AG (CH) 2008-12-10 CN 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
CN-1993344-A Chromone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2007-07-04 CN disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 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 GAA 4048/4885ERN1 4201/4885KDM4E 2179/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 GAA 3764/4885ERN1 1558/4885KDM4E 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.