Sugi Predict

Sugi Predict / Compounds / SCHEMBL3584938

SCHEMBL3584938

SCHEMBL3584938

CC(C)c1oc2c(O)c(OCc3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ AR P10275 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ C5AR1 P21730 1/20 0.37

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
SCHEMBL3586172 0.87 CYP19A1 (0.41) GAAKDM4EPOLBMAOAMAOB
SCHEMBL3579185 0.86 AR (0.43) GAAESR1ESR2ARKDM4E
SCHEMBL4938085 0.85 MAOB (0.36) GAAESR1ESR2ARMAPT
SCHEMBL4938090 0.85 MAOB (0.36) GAAESR1ESR2ARMAPT
SCHEMBL3581362 0.77 GAA (0.54) GAAESR1ESR2KDM4EPOLB
SCHEMBL14185172 0.75 GAA (0.49) GAAKDM4EPOLBMAPTPKM
SCHEMBL14185181 0.74 GAA (0.48) GAAKDM4EPOLBMAPTPKM
SCHEMBL14185176 0.73 KDM4E (0.53) GAAESR1ESR2KDM4EPOLB
SCHEMBL14185225 0.73 KDM4E (0.53) GAAKDM4EPOLBALDH1A1CA9
SCHEMBL3580492 0.73 GAA (0.52) GAAKDM4EPOLBMAPTPKM

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
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
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 GAA 4048/4885ESR1 923/4885ESR2 963/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 GAA 3764/4885ESR1 488/4885ESR2 552/4885

“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.