SCHEMBL6771552

SCHEMBL6771552

CC(C)Cn1c(OCc2ccccc2)noc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6765408 0.78 PKM (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6766066 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5109263 0.64 PKM (0.43) ALDH1A1PKMLMNAGAATSHR
SCHEMBL14563447 0.64 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14505636 0.62 PKM (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8370127 0.62 LMNA (0.53) ALDH1A1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL11556278 0.61 TSHR (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6767397 0.61 KDM4C (0.45) ALDH1A1PKMLMNAGAAL3MBTL1
SCHEMBL12374057 0.60 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PKMLMNAGAA
SCHEMBL6760087 0.60 PKM (0.44) SMN1; SMN2PKMLMNAGAATDP1

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-20040063581-A1 Herbicidal oxadiazolidines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-01 US disclosed
EP-1147096-A1 HERBICIDAL OXADIAZOLIDINES E. I. du Pont de Nemours and Company (US) 2001-10-24 EP disclosed
WO-2000043377-A1 HERBICIDAL OXADIAZOLIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-07-27 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-20040063581-A1 Herbicidal oxadiazolidines XDH, CBR3, CYP4X1 ALDH1A1 430/4885CYP1A2 18/4885CYP2D6 25/4885

“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.