SCHEMBL11890219

SCHEMBL11890219

C/C(=C\CO)CC/C=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
LSS P48449 2/20 0.35
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL3092378 1.00 MAPT (0.41) MAPTMEN1CYP3A4ALOX15KMT2A
SCHEMBL12042841 0.89 TRPV1 (0.33) MAPTCYP3A4LSSTRPV1
SCHEMBL1443819 0.87 BTN3A1 (0.33) CYP3A4
SCHEMBL14576007 0.87 BTN3A1 (0.33) CYP3A4
SCHEMBL11890235 0.84 ALDH1A1 (0.47) ALOX15ALDH1A1TRPV1
SCHEMBL17997139 0.84 SMYD2 (0.36) MAPTMEN1CYP3A4ALOX15KMT2A
SCHEMBL14616409 0.84 BTN3A1 (0.33) CYP3A4
SCHEMBL1443774 0.83 BTN3A1 (0.32) MAPT
SCHEMBL14576030 0.83 BTN3A1 (0.32) MAPT
SCHEMBL25203066 0.82 TRPV1 (0.38) ALOX15LSSTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY MAPT 4010/4885MEN1 458/4885CYP3A4 45/4885
US-20080015232-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 MAPT 3664/4885MEN1 782/4885CYP3A4 2116/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 MAPT 3702/4885MEN1 541/4885CYP3A4 92/4885
US-20080227852-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 MAPT 3664/4885MEN1 782/4885CYP3A4 2116/4885
US-20110319481-A1 SCHWEINFURTHIN ANALOGUES ERH, HRAS, HNRNPH1 MAPT 3664/4885MEN1 782/4885CYP3A4 2116/4885

“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.