SCHEMBL3586687

SCHEMBL3586687

O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.81
SHBG P04278 1/20 0.81
ESR2 Q92731 1/20 0.81
MAPT P10636 7/20 0.71
RAB9A P51151 5/20 0.71
LMNA P02545 4/20 0.71
NPC1 O15118 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 2/20 0.71
GAA P10253 1/20 0.71
ALOX12 P18054 1/20 0.71
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
CYP3A4 P08684 2/20 0.66
ATM Q13315 1/20 0.66
PIK3CA P42336 2/20 0.66
MAPK1 P28482 2/20 0.66
ALOX5 P09917 1/20 0.61

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
SCHEMBL29514772 1.00 ESR1 (0.81) ESR1SHBGESR2MAPTRAB9A
SCHEMBL312243 0.90 ESR1 (1.00) ESR1SHBGESR2MAPTRAB9A
SCHEMBL30503014 0.90 ESR1 (1.00) ESR1SHBGESR2MAPTRAB9A
SCHEMBL3584263 0.84 LMNA (0.68) ESR1SHBGESR2MAPTRAB9A
SCHEMBL9730612 0.84 ESR1 (0.71) ESR1SHBGESR2MAPTRAB9A
SCHEMBL2331741 0.83 LMNA (1.00) ESR1SHBGESR2MAPTRAB9A
SCHEMBL22672221 0.83 ESR1 (0.81) ESR1SHBGESR2MAPTRAB9A
SCHEMBL38652384 0.83 ESR1 (0.81) ESR1SHBGESR2MAPTRAB9A
SCHEMBL3958571 0.83 LMNA (1.00) ESR1SHBGESR2MAPTRAB9A
SCHEMBL30204024 0.83 LMNA (1.00) ESR1SHBGESR2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022075780-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OVERACTIVE BLADDER 광주과학기술원 2022-04-14 WO disclosed
WO-2020231979-A9 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-06-17 WO disclosed
WO-2020231979-A1 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-11-19 WO disclosed
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
EP-0171645-B1 2H-1-BENZOPYRAN-2-ON DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1988-11-30 EP 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 ESR1 923/4885SHBG 3789/4885ESR2 963/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 ESR1 488/4885SHBG 2719/4885ESR2 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.