Sugi Predict

Sugi Predict / Compounds / SCHEMBL3586172

SCHEMBL3586172

SCHEMBL3586172

COc1c(OCc2ccccc2)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR1A P08908 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
SCHEMBL3584938 0.87 GAA (0.46) CYP19A1KDM4EALDH1A1MAOAPOLB
SCHEMBL3579185 0.85 AR (0.43) CYP19A1KDM4EALDH1A1MAOAPOLB
SCHEMBL4938085 0.84 MAOB (0.36) CYP19A1ALDH1A1MAOAGAACYP1A1
SCHEMBL4938090 0.84 MAOB (0.36) CYP19A1ALDH1A1MAOAGAACYP1A1
SCHEMBL3587585 0.80 ALPL (0.36) KDM4EALDH1A1MAOAGAACYP1A1
SCHEMBL3580548 0.79 CA1 (0.46) KDM4EALDH1A1POLBGAACYP1A1
SCHEMBL3580492 0.79 GAA (0.52) KDM4EALDH1A1MAOAPOLBGAA
SCHEMBL3584338 0.78 CA1 (0.41) CYP19A1KDM4EALDH1A1MAOAPOLB
SCHEMBL3589304 0.77 GAA (0.37) CYP19A1KDM4EALDH1A1MAOAPOLB
SCHEMBL14185172 0.74 GAA (0.49) KDM4EALDH1A1MAOAPOLBGAA

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 CYP19A1 2045/4885KDM4E 2179/4885ALDH1A1 2296/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 CYP19A1 1419/4885KDM4E 4415/4885ALDH1A1 2082/4885

“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.