SCHEMBL2071528

SCHEMBL2071528

COc1cc(CO)cc(OC)c1CC=C(C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.51
▸ PPARG P37231 4/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.51
▸ MAOB P27338 3/20 0.50
▸ BACE1 P56817 2/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ TRPV1 Q8NER1 3/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ INHA P05111 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47

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
SCHEMBL2071527 1.00 APP (0.51) APPPPARGPPARAPPARDDNMT1
SCHEMBL23896696 0.86 PPARG (0.57) APPPPARGPPARAPPARDDNMT1
SCHEMBL12042814 0.86 PPARG (0.49) APPPPARGPPARAPPARDDNMT1
SCHEMBL21864132 0.83 PPARG (0.71) APPPPARGPPARAPPARDDNMT1
SCHEMBL25341432 0.83 PPARG (0.71) APPPPARGPPARAPPARDDNMT1
SCHEMBL25342650 0.82 PPARG (0.70) APPPPARGPPARAPPARDDNMT1
SCHEMBL25560770 0.82 PPARG (0.59) APPPPARGPPARAPPARDDNMT1
SCHEMBL25342653 0.82 PPARG (0.70) APPPPARGPPARAPPARDDNMT1
SCHEMBL27608511 0.81 MAPT (0.70) APPPPARGPPARAPPARDDNMT1
SCHEMBL14218590 0.81 PTPN1 (0.70) APPPPARGPPARAMAOBBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732915-B1 SCHWEINFURTHIN ANALOGUES UNIV IOWA RES FOUND (US) 2016-01-06 — — EP disclosed
US-20110319481-A1 SCHWEINFURTHIN ANALOGUES Government of the United States of America, National Institute of Health (US) 2011-12-29 — — US disclosed
US-7902228-B2 such as: 3-Deoxyschweinfurthin B; anticancer assay; e.g. breast cancer or a cancer of the CNS or renal system diagnosis UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-03-08 — — US disclosed
US-20080227852-A1 SCHWEINFURTHIN ANALOGUES THE GOVERNMENT OF THE UNITED STATES OF AMERICA 2008-09-18 — — US disclosed
US-7358377-B2 such as: 3-Deoxyschweinfurthin B; tested and were found to have anti-cancer by NCI 60-cell line anticancer assay; e.g. breast cancer or a cancer of the CNS or renal system UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-04-15 — — US disclosed
US-20080015232-A1 SCHWEINFURTHIN ANALOGUES US GOVERNMENT - SECRETARY FOR THE ARMY 2008-01-17 — — US disclosed
EP-1732915-A2 SCHWEINFURTHIN ANALOGUES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-12-20 — — EP disclosed
WO-2005092878-A2 SCHWEINFURTHIN ANALOGUES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-10-06 — — 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-20080015232-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 APP 3392/4885PPARG 1653/4885PPARA 1838/4885
US-20080227852-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 APP 3392/4885PPARG 1653/4885PPARA 1838/4885
US-20110319481-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 APP 3392/4885PPARG 1653/4885PPARA 1838/4885

“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.

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