SCHEMBL3766078

SCHEMBL3766078

COC(=O)c1cnn(C2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.58
▸ PSMB8 P28062 1/20 0.54
▸ PSMB9 P28065 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MERTK Q12866 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL24035880 0.98 ACHE (0.60) ACHEPSMB8PSMB9ALDH1A1SMN1; SMN2
SCHEMBL17162236 0.92 ACHE (0.51) ACHEPSMB8PSMB9ALDH1A1ATM
SCHEMBL24036427 0.85 ROCK1 (0.46) ACHEPSMB8PSMB9ALDH1A1HSD17B10
SCHEMBL24035852 0.85 DYRK1A (0.48) ACHEPSMB8PSMB9WNT1GSK3B
SCHEMBL22411770 0.85 GSK3B (0.47) ACHEPSMB8PSMB9GSK3BDYRK1A
SCHEMBL31352440 0.82 ACHE (0.59) ACHEPSMB8PSMB9ALDH1A1NPC1
SCHEMBL22660198 0.82 GSK3B (0.50) ACHEPSMB8PSMB9ALDH1A1MERTK
SCHEMBL24035877 0.82 ROCK1 (0.44) ACHEPSMB8PSMB9ALDH1A1HSD17B10
SCHEMBL24035284 0.81 ACHE (0.45) ACHEPSMB8PSMB9ALDH1A1ATM
SCHEMBL11169558 0.81 ACHE (0.65) ACHEPSMB8PSMB9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 — — US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 — — US disclosed
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-01-05 — — US disclosed
WO-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 — — WO disclosed
CN-1910156-B Malononitrile compound as pesticide SUMITOMO CHEMICAL CO 2011-08-17 — — CN disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
CN-1910156-A Malononitrile compound as pesticide SUMITOMO CHEMICAL CO (JP) 2007-02-07 — — CN disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 — — EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 — — 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 (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-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS ACHE 4265/4885PSMB8 3270/4885PSMB9 3987/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ACHE 4265/4885PSMB8 3270/4885PSMB9 3987/4885
US-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 ACHE 96/4885PSMB8 2124/4885PSMB9 1307/4885

“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.

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