SCHEMBL7753595

SCHEMBL7753595

COC(=O)COc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL7754186 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7754495 0.82 CYP1A2 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27377682 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7753618 0.78 CYP1A2 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7753627 0.78 CYP1A2 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7755665 0.78 CYP1A2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7755664 0.78 CYP1A2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7755677 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7755689 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7749532 0.77 CYP1A2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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 ALDH1A1 39/4885SMN1; SMN2 3729/4885CYP1A2 12/4885

“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.