SCHEMBL4946808

SCHEMBL4946808

C=C(C)C(=O)OCC/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 4/20 0.43
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.31

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
SCHEMBL297292 1.00 THRB (0.44) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL94668 1.00 THRB (0.44) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL28623616 0.98 THRB (0.43) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL612356 0.90 TSHR (0.49) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL16243745 0.90 TSHR (0.49) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL28297110 0.89 TSHR (0.47) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL611316 0.89 TSHR (0.51) THRBTSHRKDM4EPOLBAPEX1
SCHEMBL9902707 0.80 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL9410884 0.77 KDM4E (0.39) TSHRKDM4E
SCHEMBL6029952 0.77 ALDH1A1 (0.48) THRBTSHRKDM4EALDH1A1

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
CN-109844052-B Adhesive composition for protective film and protective film 日本电石工业株式会社 2021-11-23 CN disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
US-9177819-B2 Method for manufacturing silicon substrate having textured structure TOKUYAMA CORPORATION (JP) 2015-11-03 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140349485-A1 METHOD FOR MANUFACTURING SILICON SUBSTRATE HAVING TEXTURED STRUCTURE TOKUYAMA CORPORATION a corporation 2014-11-27 US disclosed
US-20080124456-A1 Inkjet ink and method for forming cured film using the same CHISSO CORPORATION 2008-05-29 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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 THRB 1348/4885TSHR 1906/4885KDM4E 564/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 THRB 1348/4885TSHR 1906/4885KDM4E 564/4885

“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.