SCHEMBL3445913

SCHEMBL3445913

CC(C)(C)OC(=O)n1ccc2c1CCCC2=O.O=C1CCCc2c1ccn2C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.60
GPR119 Q8TDV5 3/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ELANE P08246 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1692228 0.95 BUB1 (0.65) BUB1GPR119ACHEHPGDLMNA
SCHEMBL13477016 0.86 HPGD (0.43) BUB1HPGDLMNAHTTSMN1; SMN2
SCHEMBL3445914 0.81 BUB1 (0.51) BUB1GPR119ACHEPIM1MARK3
SCHEMBL24852180 0.77 BUB1 (0.54) BUB1GPR119ACHEPIM1PIM2
SCHEMBL17372467 0.75 BUB1 (1.00) BUB1ACHEHTTGAAALDH1A1
SCHEMBL20780061 0.75 BUB1 (0.50) BUB1GPR119HPGDPIM1MARK3
SCHEMBL17498059 0.73 BUB1 (0.47) BUB1GPR119ACHEHPGDPIM1
SCHEMBL31471645 0.71 NPC1 (0.47) HPGDLMNASMN1; SMN2GAAALDH1A1
SCHEMBL13397249 0.70 CSNK2A1 (0.42) BUB1HPGDLMNAHTTSMN1; SMN2
SCHEMBL2208073 0.70 ELANE (0.62) BUB1GPR119HPGDHTTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816536-B2 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-10-19 US disclosed
US-20070004787-A1 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate NATIONAL SCIENCE FOUNDATION 2007-01-04 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 (1 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-20070004787-A1 enantioselective functionalization at the less reactive 4-position; alkenylation of the 4-(leaving group)-6,7-dihydro ring with an electron-withdrawing vinyldiazo compound using a a dirhodium catalyst; drug intermediate CYP3A4, CYP2D6, CYP3A7 BUB1 4036/4885GPR119 3298/4885ACHE 1608/4885

“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.