SCHEMBL2070992

SCHEMBL2070992

CC(C)=CCC/C(C)=C/Cc1ccc(CI)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.49
KMT2A Q03164 3/20 0.48
PTPN1 P18031 1/20 0.46
BACE1 P56817 1/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
MAOB P27338 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
UGT1A1 P22309 1/20 0.44
PPARG P37231 3/20 0.43
PTGS1 P23219 3/20 0.43
PPARA Q07869 2/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL2070993 1.00 GGPS1 (0.49) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL19664772 0.84 PPARG (0.58) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL5823582 0.84 PPARG (0.58) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL2072104 0.84 KMT2A (0.52) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL2072101 0.84 KMT2A (0.52) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL28252862 0.83 PPARG (0.57) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL31670205 0.82 TRPV1 (0.56) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL793954 0.82 TRPV1 (0.56) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL9953748 0.82 TRPV1 (0.56) GGPS1KMT2APTPN1BACE1MEN1
SCHEMBL11768068 0.81 TRPV1 (0.50) GGPS1KMT2APTPN1BACE1MEN1

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 GGPS1 777/4885KMT2A 1798/4885PTPN1 4847/4885
US-20080227852-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 GGPS1 777/4885KMT2A 1798/4885PTPN1 4847/4885
US-20110319481-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 GGPS1 777/4885KMT2A 1798/4885PTPN1 4847/4885

“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.