SCHEMBL12896183

SCHEMBL12896183

CCC(C)(C)C(=O)O[C@H]1CN[C@H](C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ARG1 P05089 1/20 0.36
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL29136392 0.84 CYP1A2 (0.39) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL19143766 0.78 CYP2D6 (0.42) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL17422956 0.78 CYP2D6 (0.44) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL5068419 0.78 CYP2D6 (0.44) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL3450044 0.75 CYP2D6 (0.48) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL683739 0.75 CYP2D6 (0.48) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL5861606 0.75 CYP2D6 (0.48) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL3450045 0.75 CYP2D6 (0.48) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL23610412 0.74 CYP2D6 (0.47) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3
SCHEMBL3824571 0.74 CYP2D6 (0.47) CYP2D6ALOX15CYP1A2CYP2C19SLC1A3

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-20110034654-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS UNIVERSITETET I OSLO (NO) 2011-02-10 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-20110034654-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS HRH3, HRH4, H1-3 CYP2D6 1481/4885ALOX15 3446/4885CYP1A2 1318/4885

“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.