SCHEMBL4929845

SCHEMBL4929845

COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C(C)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
RECQL P46063 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PPIA P62937 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5945787 1.00 ABCB1 (0.40) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL2764693 1.00 ABCB1 (0.40) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL2764688 1.00 ABCB1 (0.40) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL2764272 0.93 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL14026295 0.93 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL8286525 0.93 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL2764268 0.93 ABCB1 (0.41) ABCB1KDM1AMAOBRECQLHTT
SCHEMBL13991398 0.89 ABCB1 (0.41) ABCB1KDM1AMAOBMEN1NPC1
SCHEMBL2765228 0.89 ABCB1 (0.41) ABCB1KDM1AMAOBMEN1NPC1
SCHEMBL5945650 0.89 ABCB1 (0.41) ABCB1KDM1AMAOBMEN1NPC1

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-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 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-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ABCB1 413/4885KDM1A 1248/4885MAOB 836/4885

“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.