SCHEMBL7753539

SCHEMBL7753539

COC(=O)C(=CN(C)C)Oc1cccc(Sc2ccccc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.38
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7753531 1.00 SLC6A9 (0.38) SLC6A9CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL7755650 0.90 SLC6A9 (0.35) SLC6A9ALDH1A1LMNAHPGDTP53
SCHEMBL7755652 0.90 SLC6A9 (0.35) SLC6A9ALDH1A1LMNAHPGDTP53
SCHEMBL7754296 0.89 SLC6A9 (0.34) SLC6A9ALDH1A1LMNAHPGDTP53
SCHEMBL7754303 0.89 SLC6A9 (0.34) SLC6A9ALDH1A1LMNAHPGDTP53
SCHEMBL7753227 0.86 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL7753234 0.86 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL7753592 0.78 CYP11B1 (0.32) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL7753598 0.78 CYP11B1 (0.32) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL7755699 0.75 SLC6A9 (0.38) SLC6A9ALDH1A1LMNAHPGDMAPT

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-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 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-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 SLC6A9 1897/4885CYP11B1 342/4885CYP11B2 588/4885

“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.