SCHEMBL3365824

SCHEMBL3365824

N#CC(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 2/20 0.36
SLC6A3 Q01959 2/20 0.35
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SHBG P04278 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
SCHEMBL5341356 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL8022118 0.97
SCHEMBL26999467 0.97
SCHEMBL26999468 0.97
SCHEMBL8019227 0.92
Cyclopropylcarboxaldehyde SCHEMBL367544 0.86
SCHEMBL5186842 0.78 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5186833 0.78 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5188226 0.78 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5188231 0.78 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 Hepagene Therapeutics (HK) Limited (HK) 2021-06-17 US disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
EP-0505089-B1 A catalyst for asymmetric induction SUMITOMO CHEMICAL CO (JP) 1994-12-14 EP disclosed
US-5288682-A Catalyst for asymmetric induction SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-22 US disclosed
EP-0505089-A1 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-23 EP disclosed
EP-0458111-A1 1,6-dihydro-3-dimethylamino-4-methyl-1,2,4-triazine derivatives BAYER AG (DE) 1991-11-27 EP disclosed
US-4511562-A (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents BAYER AKTIENGESELLSCHAFT (DE) 1985-04-16 US disclosed
EP-0072482-A2 (Thiono)(dithio)-phosphoric-(phosphonic)-acid esters, process for their preparation and their use as pesticides BAYER AG (DE) 1983-02-23 EP disclosed
US-4341789-A ANTISECRETORY, ANTIAGGLOMERANTS, BRONCHODILATOR AND ANTIFERTILITY AGENTS BEECHAM GROUP LIMITED (GB) 1982-07-27 US disclosed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US disclosed
US-4177283-A ANTISECRETORY, ANTICOAGULANT, BRONCHODILATOR BEECHAM GROUP LIMITED (GB) 1979-12-04 US disclosed
US-4138407-A ANTISECRETORY, BRONCHODILATOR, ANTICOAGULANT BEECHAM GROUP LIMITED (GB) 1979-02-06 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 (4 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 TP53 363/4885KDM4E 2078/4885GMNN 3084/4885
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 IRAK1, IRAK2, IRAK3 TP53 1185/4885KDM4E 2701/4885GMNN 4312/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD TP53 22/4885KDM4E 2024/4885GMNN 696/4885
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 TP53 3408/4885KDM4E 905/4885GMNN 2915/4885

“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.