SCHEMBL13821993

SCHEMBL13821993

CCOc1ccc(C[C@@H](C)NC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ APEX1 P27695 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ ACACB O00763 15/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ SLC6A4 P31645 1/20 0.54

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
SCHEMBL13821991 1.00 CYP1A2 (0.58) CYP1A2CYP2D6APEX1PMP22ACACB
SCHEMBL13033633 0.84 ACACB (0.56) ACACBSIGMAR1SLC6A4
SCHEMBL15699361 0.84 ACACB (0.56) ACACBSIGMAR1SLC6A4
SCHEMBL21089970 0.81 CYP1A2 (0.61) CYP1A2CYP2D6APEX1PMP22ACACB
SCHEMBL31545367 0.81 ACACB (0.61) ACACB
SCHEMBL5018760 0.79 NQO1 (0.61) ACACBSIGMAR1
SCHEMBL7074595 0.79 NQO1 (0.50) ACACBSIGMAR1
SCHEMBL21015668 0.78 ACACB (0.51) ACACB
SCHEMBL18494260 0.78 ACACB (0.54) ACACB
SCHEMBL19465105 0.78 ACACB (0.51) ACACB

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-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF THERAPHARM GMBH 2009-06-25 — — 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-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF C5, C3AR1, SPR CYP1A2 1585/4885CYP2D6 556/4885APEX1 91/4885

“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.

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