SCHEMBL2775769

SCHEMBL2775769

COc1cc2c(cc1C)OCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
MAOA P21397 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
P2RX7 Q99572 1/20 0.42
GRM5 P41594 6/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KLK7 P49862 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 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
SCHEMBL28454382 0.94 MAOB (0.45) MAOBMAOAALDH1A1KDM4EP2RX7
SCHEMBL12316567 0.88 KDM4E (0.51) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL31457765 0.84 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL23363326 0.84 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL17785121 0.83 KDM4E (0.50) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL30558386 0.83 MAOB (0.53) MAOBMAOAALDH1A1GRM5HPGD
SCHEMBL11001293 0.83 MAOB (0.53) MAOBMAOAALDH1A1GRM5HPGD
SCHEMBL16333691 0.81 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL30888618 0.79 MAOB (0.44) MAOBMAOAALDH1A1KDM4EP2RX7
SCHEMBL16333999 0.79 MAOA (0.51) MAOBMAOAALDH1A1KDM4EGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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 (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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE MAOB 733/4885MAOA 1084/4885ALDH1A1 4036/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE MAOB 773/4885MAOA 1080/4885ALDH1A1 3938/4885

“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.