SCHEMBL1039742

SCHEMBL1039742

COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.70
HPGD P15428 5/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPT P10636 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
ALDH1A1 P00352 4/20 0.70
GAA P10253 3/20 0.70
CYP3A4 P08684 2/20 0.70
ATM Q13315 1/20 0.70
ESR1 P03372 1/20 0.65
SHBG P04278 1/20 0.65
ESR2 Q92731 1/20 0.65
LMNA P02545 7/20 0.64
HTT P42858 3/20 0.64
MAPK1 P28482 2/20 0.63
TTR P02766 1/20 0.63
NPSR1 Q6W5P4 1/20 0.59
ALOX12 P18054 2/20 0.58

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
SCHEMBL1245832 0.91 MEN1 (0.70) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL8168221 0.91 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL29535974 0.91 MEN1 (0.70) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL31511913 0.91 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL30511126 0.90 SMN1; SMN2 (0.74) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL9730692 0.86 MEN1 (0.67) SMN1; SMN2HPGDMEN1KMT2AMAPT
Ononetin SCHEMBL2948430 0.82 NPC1 (1.00) SMN1; SMN2HPGDMEN1KMT2AMAPT
Ononetin SCHEMBL30203900 0.82 NPC1 (1.00) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL1245285 0.82 NPC1 (0.68) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL29535799 0.82 NPC1 (0.68) SMN1; SMN2HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861402-B1 ISOFLAVONOID DIMERS NOVOGEN RES PTY LTD (AU) 2011-01-26 EP disclosed
EP-1861402-B1 ISOFLAVONOID DIMERS NOVOGEN RES PTY LTD (AU) 2011-01-26 EP disclosed
WO-2011000566-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NEGATIVE-SENSE SSRNA VIRUS INFECTIONS SAVIRA PHARMACEUTICALS GMBH (AT) 2011-01-06 WO disclosed
US-7700644-B2 Such as 4,9-Dihydroxy-14,15-dimethoxy-12a-(3',4'-dimethoxyphenyl)-2, 11-dioxa-(1H,12H)-6b,6c,12a,16b-tetrahydronaphtho[1,2-g]chrysene via dimerisation of 3-phenylchroman NOVOGEN RESEARCH PTY LTD (AU) 2010-04-20 US disclosed
US-7700644-B2 Such as 4,9-Dihydroxy-14,15-dimethoxy-12a-(3',4'-dimethoxyphenyl)-2, 11-dioxa-(1H,12H)-6b,6c,12a,16b-tetrahydronaphtho[1,2-g]chrysene via dimerisation of 3-phenylchroman NOVOGEN RESEARCH PTY LTD (AU) 2010-04-20 US disclosed
US-7700644-B2 Such as 4,9-Dihydroxy-14,15-dimethoxy-12a-(3',4'-dimethoxyphenyl)-2, 11-dioxa-(1H,12H)-6b,6c,12a,16b-tetrahydronaphtho[1,2-g]chrysene via dimerisation of 3-phenylchroman NOVOGEN RESEARCH PTY LTD (AU) 2010-04-20 US disclosed
US-20080306140-A1 Isoflavonoid Dimers NOVOGEN RESEARCH PTY LTD (AU) 2008-12-11 US disclosed
US-20080306140-A1 Isoflavonoid Dimers NOVOGEN RESEARCH PTY LTD (AU) 2008-12-11 US disclosed
US-20080306140-A1 Isoflavonoid Dimers NOVOGEN RESEARCH PTY LTD (AU) 2008-12-11 US disclosed
EP-1861402-A1 ISOFLAVONOID DIMERS Novogen Research Pty. Ltd. (AU) 2007-12-05 EP disclosed
WO-2006099681-A1 ISOFLAVONOID DIMERS NOVOGEN RESEARCH PTY LTD (AU) 2006-09-28 WO disclosed
EP-0478558-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED ISOFLAVONE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-02-02 EP disclosed
US-5247102-A Cyclization of a resorcinol derivative with ethyl orthoformate in the presence of a base CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-09-21 US disclosed
WO-1991015483-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED ISOFLAVONE DERIVATIVES CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) 1991-10-17 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 (1 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-20080306140-A1 Isoflavonoid Dimers CDK2, CDK20, F2 SMN1; SMN2 3742/4885HPGD 54/4885MEN1 2011/4885

“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.