SCHEMBL17618221

SCHEMBL17618221

C=Cc1ccc(NC(=O)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)Nc2ccc(C=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 15/20 0.42
▸ LMNA P02545 1/20 0.36
▸ MC4R P32245 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
SCHEMBL16295220 0.94 BCHE (0.47) BCHELMNAMC4RSMN1; SMN2
SCHEMBL17624084 0.88 BCHE (0.52) BCHE
SCHEMBL13091434 0.69 FAAH (0.53) BCHELMNASMN1; SMN2
SCHEMBL23081898 0.69 MAOB (0.44) —
SCHEMBL24845046 0.69 ALDH1A1 (0.48) BCHESMN1; SMN2
SCHEMBL16229589 0.68 BCHE (0.49) BCHE
SCHEMBL9113346 0.67 MAOB (0.45) —
SCHEMBL8767860 0.67 RAD51 (0.44) LMNASMN1; SMN2
SCHEMBL12166665 0.67 MAPT (0.50) BCHESMN1; SMN2
SCHEMBL8426951 0.67 MAPT (0.41) SMN1; 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-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-03-24 — — 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-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF PRKCA, PRKCE, PRKCI BCHE 1011/4885LMNA 3810/4885MC4R 509/4885

“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.

Send feedback