SCHEMBL3583010

SCHEMBL3583010

CC(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 8/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
GAA P10253 4/20 0.42
CYP19A1 P11511 1/20 0.41
ESR1 P03372 1/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL14185196 0.92 KDM4E (0.57) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL14185215 0.88 MAPT (0.48) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL2184783 0.85 KDM4E (0.62) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL2333853 0.85 ALDH1A1 (0.48) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL14185253 0.83 CA1 (0.52) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL3589703 0.81 CA12 (0.54) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL3577904 0.79 CA1 (0.52) CA1CA2KDM4EALDH1A1GAA
SCHEMBL3578968 0.79 CA1 (0.50) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL14185257 0.78 SMN1; SMN2 (0.51) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL3579502 0.78 CA1 (0.58) CA1CA2KDM4EALDH1A1GAA

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 5 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
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 CA1 1347/4885CA2 224/4885MAPT 4741/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 CA1 2466/4885CA2 628/4885MAPT 4798/4885

“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.