SCHEMBL2074050

SCHEMBL2074050

CCOP(=O)(Cc1cccc(OCOC)c1)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
CCNT1 O60563 5/20 0.43
CDK9 P50750 5/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.38
CYP2D6 P10635 3/20 0.38
GGPS1 O95749 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HDAC1 Q13547 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL915329 0.89 KDM4E (0.46) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL2070453 0.85 MAPT (0.35) FFAR1CCNT1CDK9GAATSHR
SCHEMBL4237467 0.85 CMA1 (0.47) CCNT1CDK9CHRM2CHRM1CHRM3
SCHEMBL30323683 0.85 CMA1 (0.47) CCNT1CDK9CHRM2CHRM1CHRM3
SCHEMBL1011307 0.83 MAOB (0.53) FFAR1CYP2D6
SCHEMBL12082470 0.82 CCNT1 (0.40) FFAR1CCNT1CDK9ALDH1A1HDAC1
SCHEMBL915498 0.82 GGPS1 (0.45) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL3390402 0.81 CCNT1 (0.46) CCNT1CDK9HDAC1TSHR
SCHEMBL10867669 0.79 CETP (0.52) KDM4EALDH1A1TSHRTDP1
SCHEMBL27233590 0.78 KMT2A (0.46) CCNT1CDK9KDM4EALDH1A1GAA

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 FFAR1 3273/4885CCNT1 1619/4885CDK9 2925/4885
US-20080227852-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 FFAR1 3273/4885CCNT1 1619/4885CDK9 2925/4885
US-20110319481-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 FFAR1 3273/4885CCNT1 1619/4885CDK9 2925/4885

“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.