SCHEMBL4056041

SCHEMBL4056041

C=CC/C(C)=C\C[C@H](O)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL4058776 1.00 FNTA (0.32) FNTAFNTB
SCHEMBL2495853 1.00 FNTA (0.32) FNTAFNTB
SCHEMBL2495854 1.00 FNTA (0.32) FNTAFNTB
SCHEMBL2495856 1.00 FNTA (0.32) FNTAFNTB
SCHEMBL14226490 0.81
SCHEMBL13093838 0.81 MEN1 (0.33)
SCHEMBL13745833 0.80 FNTA (0.33) FNTAFNTB
SCHEMBL5746283 0.80 GRIK1 (0.41) FNTAFNTB
SCHEMBL17946581 0.80
SCHEMBL2759244 0.80

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-02 US disclosed
US-20150175587-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN KETTERING INST CANCER (US) 2015-06-25 US disclosed
US-20150175587-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN KETTERING INST CANCER (US) 2015-06-25 US disclosed
US-20140213618-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN KETTERING INST CANCER (US) 2014-07-31 US disclosed
US-8513429-B2 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSITUTE FOR CANCER RESEARCH (US) 2013-08-20 US disclosed
US-8513429-B2 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSITUTE FOR CANCER RESEARCH (US) 2013-08-20 US disclosed
US-20120316348-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2012-12-13 US disclosed
US-20120316348-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2012-12-13 US disclosed
US-8110590-B2 Synthesis of epothilones, intermediates thereto and analogues thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-02-07 US disclosed
US-7875638-B2 desoxyepothilone A and B; Fludelone; anticarcinogenic agents; drug resistance; water solubility for formulability; industrial scale; cytotoxic or growth inhibitory effects on CAG myeloma cells lines; ability to polymerize tubulin; minimum toxicity; isomerization of the double bonds in the ring SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-01-25 US disclosed
US-7384964-B2 Synthesis of epothilones, intermediates thereto, analogues and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-06-10 US disclosed
EP-1874752-A1 PROCESS FOR THE PREPARATION OF 9,10-DEHYDRO-12,13-DESOXYEPOTHILONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-01-09 EP disclosed
US-7238816-B2 Preparation of epothilone derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-7238816-B2 Preparation of epothilone derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-7238816-B2 Preparation of epothilone derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
US-20070032534-A1 12,13-desoxyepothilones, used as anticarcinogenic agents DANISHEFSKY SAMUEL J 2007-02-08 US disclosed
US-20060241156-A1 Preparation of epothilone derivatives KOSAN BIOSCIENCES, INC. 2006-10-26 US disclosed
US-20060241156-A1 Preparation of epothilone derivatives KOSAN BIOSCIENCES, INC. 2006-10-26 US disclosed
US-20060241156-A1 Preparation of epothilone derivatives KOSAN BIOSCIENCES, INC. 2006-10-26 US disclosed
WO-2006111491-A1 PROCESS FOR THE PREPARATION OF 9,10-DEHYDRO-12,13-DESOXYEPOTHILONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-26 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 (6 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-20120316348-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF DHPS, THPO, CYP11B1 FNTA 73/4885FNTB 294/4885
US-20150175587-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF DHPS, THPO, CYP11B1 FNTA 73/4885FNTB 294/4885
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE DHPS, EPOR, THPO FNTA 313/4885FNTB 74/4885
US-20060241156-A1 Preparation of epothilone derivatives EPOR, DHPS, HCCS FNTA 1377/4885FNTB 1779/4885
US-20140213618-A1 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF DHPS, THPO, CYP11B1 FNTA 73/4885FNTB 294/4885
US-20070032534-A1 12,13-desoxyepothilones, used as anticarcinogenic agents GSTA1, GSTO1, GSTA2 FNTA 158/4885FNTB 277/4885

“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.