SCHEMBL25763536

SCHEMBL25763536

CCC(C)(c1cc(NC(=O)c2c(OC)cccc2OC)on1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
BRAF P15056 2/20 0.43
RAF1 P04049 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
ABL1 P00519 1/20 0.40

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
Isoxaben SCHEMBL8539623 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9712960 0.88 MAPK14 (0.54) CYP1A2CYP3A4CYP2C19BRAFRAF1
Isoxaben SCHEMBL54432 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19BRAFRAF1
Isoxaben SCHEMBL9713018 0.87 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9712579 0.86 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9712827 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9712601 0.85 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9713067 0.84 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL9713162 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19BRAFRAF1
SCHEMBL11102585 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210111-A1 HERBICIDAL MIXTURES AND COMPOSITIONS AND METHODS OF USE SBM Developpement SAS (FR) 2023-07-06 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-20230210111-A1 HERBICIDAL MIXTURES AND COMPOSITIONS AND METHODS OF USE DDT, DCPS, MPHOSPH6 CYP1A2 335/4885CYP3A4 414/4885CYP2C19 1196/4885

“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.