SCHEMBL12690459

SCHEMBL12690459

C=C1CCC(=O)N1OC(=O)CCOCCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18751732 1.00 HPGD (0.36) HPGDHTTSMN1; SMN2
SCHEMBL17928352 0.91
SCHEMBL18751741 0.91
SCHEMBL18995798 0.91 HPGD (0.36) HPGDHTTSMN1; SMN2
SCHEMBL24974550 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL12081887 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL21224008 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL22444953 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL589886 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2
SCHEMBL9917631 0.90 HPGD (0.40) HPGDHTTSMN1; SMN2

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-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 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-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRA1, GABRA2 HPGD 546/4885HTT 2504/4885SMN1; SMN2 3132/4885

“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.