SCHEMBL4089401

SCHEMBL4089401

COc1ccc(-c2c3c(c(OC)c4cc5c(cc24)OCO5)C(=O)OC3)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.67
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
ALOX5 P09917 5/20 0.57
CYP19A1 P11511 3/20 0.50
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE3B Q13370 2/20 0.48
PDE1C Q14123 2/20 0.48
PDE3A Q14432 2/20 0.48
PDE5A O76074 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44

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
Neojusticin B SCHEMBL15920775 0.92 ALDH1A1 (0.72) TOP2AKDM4EALDH1A1MAPTNPSR1
Neojusticin B SCHEMBL30471811 0.92 ALDH1A1 (0.72) TOP2AKDM4EALDH1A1MAPTNPSR1
Neojusticin B SCHEMBL30190318 0.92 ALDH1A1 (0.72) TOP2AKDM4EALDH1A1MAPTNPSR1
Chinensinaphthol Methyl Ether SCHEMBL30471865 0.91 KDM4E (0.70) TOP2AKDM4EALDH1A1MAPTNPSR1
Chinensinaphthol Methyl Ether SCHEMBL30471940 0.91 KDM4E (0.70) TOP2AKDM4EALDH1A1MAPTNPSR1
Neojusticin A SCHEMBL15624855 0.89 MAPT (0.65) TOP2AKDM4EALDH1A1MAPTNPSR1
Neojusticin A SCHEMBL30637475 0.89 MAPT (0.65) TOP2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL17280386 0.85 ALDH1A1 (0.60) TOP2AKDM4EALDH1A1MAPTNPSR1
Cilinaphthalide B SCHEMBL15920690 0.83 MAPT (0.63) TOP2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL4096679 0.83 KDM4E (0.85) TOP2AKDM4EALDH1A1MAPTNPSR1

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-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
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-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
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 (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-20140088186-A1 COMPOSITION CONTAINING ARYLNAPHTHALENE LIGNAN DERIVATIVE FOR PREVENTING AND/OR TREATING DEMENTIA PSEN2, PSEN1, SORT1 TOP2A 2500/4885KDM4E 1619/4885ALDH1A1 1896/4885
US-20090202662-A1 TREATMENT OF ERECTILE DYSFUNCTION AND LIBIDO ENHANCEMENT PDE3A, PDE2A, PDE3B TOP2A 1729/4885KDM4E 2993/4885ALDH1A1 562/4885

“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.