SCHEMBL13149138

SCHEMBL13149138

COc1ccc(CO[C@H](C)C/C=C\Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
APP P05067 7/20 0.42
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CALM1 P0DP23 1/20 0.37

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
SCHEMBL13180670 0.84 IDO1 (0.41) IDO1APP
SCHEMBL12772124 0.81 IDO1 (0.46) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL21996211 0.81 IDO1 (0.46) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL31388986 0.81 ALDH1A1 (0.53) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL13149244 0.81 ALDH1A1 (0.53) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL12770001 0.80 IDO1 (0.42) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL28885907 0.76 IDO1 (0.52) IDO1AGXTAPPSLC6A4MAOB
SCHEMBL13149137 0.76 IDO1 (0.39) IDO1AGXTAPPSLC6A4ALDH1A1
SCHEMBL12714251 0.75 IDO1 (0.50) IDO1AGXTAPPSLC6A4TSHR
SCHEMBL13410636 0.75 IDO1 (0.50) IDO1AGXTAPPSLC6A4TSHR

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-8513440-B2 Compositions and methods comprising analogues of radicicol A UNIVERSITE DE STRASBOURG (FR) 2013-08-20 US disclosed
US-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-16 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-20100233279-A1 Compositions And Methods Comprising Analogues Of Radicicol A CSNK1A1L, CSNK1A1, ALPL IDO1 4396/4885AGXT 3174/4885APP 3021/4885

“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.