SCHEMBL10286602

SCHEMBL10286602

CCOc1ccc2c(n1)C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BTK Q06187 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MAPK8 P45983 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL874647 0.82 ALDH1A1 (0.37) MAOAMAOBPOLBTDP1MAPT
SCHEMBL10314922 0.76 PIM1 (0.40) BTKADORA2AADORA1MAPK1
SCHEMBL1699735 0.76 MAPT (0.33) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10286592 0.76 MAOA (0.35) GPR174MAOAMAOBHRH3MAPT
SCHEMBL4426496 0.75 GRM5 (0.44) GPR174MAOAMAOBMAPTSMN1; SMN2
SCHEMBL10286485 0.74 KMT2A (0.39) MAOAMAOBMAPTADORA2AADORA1
SCHEMBL10286634 0.74 SMN1; SMN2 (0.35) POLBHRH3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4173286 0.73 ADRA2A (0.46) POLBMAPTSMN1; SMN2KDM4E
SCHEMBL30001849 0.73 S100A4 (0.40) MAOAMAOBALDH1A1RAB9AKDM4E
SCHEMBL526350 0.73 S100A4 (0.40) MAOAMAOBALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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 (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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO GPR174 720/4885MAOA 334/4885MAOB 473/4885

“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.