SCHEMBL5069090

SCHEMBL5069090

O=C(O)NC(CCBr)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
DPP4 P27487 7/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.33
GLS O94925 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5510787 0.82 SMN1; SMN2 (0.45) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL25297559 0.79 P2RX7 (0.47) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL15909256 0.79 P2RX7 (0.47) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL25297558 0.79 P2RX7 (0.47) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL27833236 0.78 ALDH1A1 (0.38) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL22341347 0.78 ALDH1A1 (0.38) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL27076419 0.78 ALDH1A1 (0.38) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL20774033 0.78 DPP4 (0.51) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL11211642 0.78 EPHX1 (0.46) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL20773524 0.76 CYP2D6 (0.40) ALDH1A1EPHX1CA12CA1CA2

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885EPHX1 4184/4885CA12 4792/4885

“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.