SCHEMBL4096679

SCHEMBL4096679

COc1ccc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.85
ALDH1A1 P00352 3/20 0.85
MAPT P10636 3/20 0.85
NPSR1 Q6W5P4 2/20 0.85
MEN1 O00255 2/20 0.85
LMNA P02545 2/20 0.85
HPGD P15428 2/20 0.85
KMT2A Q03164 2/20 0.85
HTT P42858 1/20 0.85
TOP2A P11388 1/20 0.63
ALOX5 P09917 4/20 0.53
CYP19A1 P11511 3/20 0.47
ERN1 O75460 1/20 0.46
HSP90AA1 P07900 1/20 0.43
EDNRA P25101 2/20 0.43
EDNRB P24530 1/20 0.43
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL15920967 0.93 KDM4E (0.77) KDM4EALDH1A1MAPTNPSR1MEN1
Diphyllin SCHEMBL30887017 0.92 ALDH1A1 (1.00) KDM4EALDH1A1MAPTNPSR1MEN1
Diphyllin SCHEMBL1061765 0.92 ALDH1A1 (1.00) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17339974 0.91 KDM4E (0.78) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL17280352 0.90 KDM4E (0.69) KDM4EALDH1A1MAPTNPSR1MEN1
Chinensinaphthol Methyl Ether SCHEMBL30471865 0.87 KDM4E (0.70) KDM4EALDH1A1MAPTNPSR1MEN1
Chinensinaphthol Methyl Ether SCHEMBL30471940 0.87 KDM4E (0.70) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL23065672 0.87 ALDH1A1 (0.90) KDM4EALDH1A1MAPTNPSR1MEN1
SCHEMBL21389093 0.86 ALDH1A1 (0.86) KDM4EALDH1A1MAPTNPSR1MEN1
Taiwanin E SCHEMBL15363973 0.84 MEN1 (0.82) KDM4EALDH1A1MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037913-B1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2016-07-20 EP claimed
US-8609151-B2 Treatment of erectile dysfunction and libido enhancement CSIR (ZA) 2013-12-17 US claimed
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2009-08-13 US claimed
EP-2037913-B1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2016-07-20 EP disclosed
US-9211278-B2 Composition containing arylnaphthalene lignan derivative for preventing and/or treating dementia KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-12-15 US disclosed
US-9211278-B2 Composition containing arylnaphthalene lignan derivative for preventing and/or treating dementia KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-12-15 US disclosed
US-20140088186-A1 COMPOSITION CONTAINING ARYLNAPHTHALENE LIGNAN DERIVATIVE FOR PREVENTING AND/OR TREATING DEMENTIA THE COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (ZA) 2014-03-27 US disclosed
US-20140088186-A1 COMPOSITION CONTAINING ARYLNAPHTHALENE LIGNAN DERIVATIVE FOR PREVENTING AND/OR TREATING DEMENTIA THE COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (ZA) 2014-03-27 US disclosed
US-8609151-B2 Treatment of erectile dysfunction and libido enhancement CSIR (ZA) 2013-12-17 US disclosed
US-7902255-B2 γ-butyrolactone compound and pharmaceutical composition thereof TZU CHI BUDDHIST GENERAL HOSPITAL (TW) 2011-03-08 US disclosed
US-20100028461-A1 Gamma-butyrolactone compound and pharmaceutical composition thereof TZU CHI BUDDHIST GENERAL HOSPITAL (TW) 2010-02-04 US disclosed
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2009-08-13 US disclosed
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2009-08-13 US disclosed
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2009-08-13 US disclosed
EP-1527784-B1 Method for extracting antineoplastic components from Bupleurum scorzonerifolium and composition comprising lactones BUDDHIST TZU CHI GENERAL HOSPI (TW) 2008-12-10 EP disclosed
US-7348032-B2 Method for extracting antineoplastic components from Bupleurum scorzonerifolium BUDDHIST TZU CHI GENERAL HOSPITAL (TW) 2008-03-25 US disclosed
US-7348032-B2 Method for extracting antineoplastic components from Bupleurum scorzonerifolium BUDDHIST TZU CHI GENERAL HOSPITAL (TW) 2008-03-25 US disclosed
WO-2007138531-A2 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT CSIR (ZA) 2007-12-06 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 (3 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-20100028461-A1 Gamma-butyrolactone compound and pharmaceutical composition thereof BRCA1, HSD3B1, HSD3B2 KDM4E 2770/4885ALDH1A1 389/4885MAPT 1329/4885
US-20140088186-A1 COMPOSITION CONTAINING ARYLNAPHTHALENE LIGNAN DERIVATIVE FOR PREVENTING AND/OR TREATING DEMENTIA PSEN2, PSEN1, SORT1 KDM4E 1619/4885ALDH1A1 1896/4885MAPT 13/4885
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT PDE3A, PDE2A, PDE3B KDM4E 2993/4885ALDH1A1 562/4885MAPT 1707/4885

“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.