SCHEMBL15929804

SCHEMBL15929804

CCC(CC)O[C@@H]1C=C(C(=O)OC)C[C@H](N=[N+]=[N-])[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15481370 0.90 MEN1 (0.47) MEN1LMNACYP3A4KMT2A
SCHEMBL15929798 0.88
SCHEMBL15933160 0.85 MEN1 (0.52) MEN1LMNACYP3A4KMT2A
SCHEMBL18538007 0.79 CYP1A2 (0.34) CYP3A4
SCHEMBL15983815 0.79 MEN1 (0.43) MEN1LMNACYP3A4KMT2A
SCHEMBL15929794 0.79 MMP2 (0.30)
SCHEMBL15481366 0.79 MEN1 (0.47) MEN1LMNACYP3A4KMT2A
SCHEMBL15929787 0.78
SCHEMBL13984881 0.78 MEN1 (0.51) MEN1LMNACYP3A4KMT2A
SCHEMBL13984833 0.78 MEN1 (0.51) MEN1LMNACYP3A4KMT2A

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-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT MEN1 2258/4885LMNA 1845/4885CYP3A4 13/4885

“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.