SCHEMBL1774308

SCHEMBL1774308

CC(C)(C)OC(=O)NCCCC[O]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
CA1 P00915 7/20 0.57
CA2 P00918 7/20 0.57
CA12 O43570 6/20 0.57
CA9 Q16790 6/20 0.57
EPHX1 P07099 2/20 0.45
HTT P42858 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CYP3A4 P08684 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL18205619 0.98 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1776892 0.98 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2202959 0.98 TDP1 (0.73) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1447321 0.94 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.92 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.90 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.90 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.90 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.90 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL136815 0.90 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US claimed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP claimed
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
US-7943637-B2 Thienopyridine derivatives and the use thereof as HSP90 modulators MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP 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-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators HSP90AA1, HSP90AB1, HSP90AB2P TDP1 175/4885MEN1 4561/4885GAA 2393/4885
US-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB TDP1 2710/4885MEN1 3472/4885GAA 4148/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 TDP1 1261/4885MEN1 3634/4885GAA 1420/4885

“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.