SCHEMBL5467701

SCHEMBL5467701

Clc1ncc(OC[C@@H]2CO2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5467695 1.00 TP53 (0.47) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29847360 0.76 ALDH1A1 (0.57) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7407565 0.76 CHRNB2 (0.58) CYP1A2
SCHEMBL7818285 0.76 CHRNB2 (0.58) CYP1A2
SCHEMBL7911780 0.76 CHRNB2 (0.58) CYP1A2
SCHEMBL7816212 0.76 CHRNA3 (0.61)
SCHEMBL7410204 0.76 CHRNA3 (0.61)
SCHEMBL31177832 0.75 ALDH1A1 (0.41) TP53TSHRALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL6585152 0.75 CHRNB2 (0.57) CYP1A2
Hydrochloric Acid SCHEMBL7827685 0.75 CHRNB2 (0.57) CYP1A2

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-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 TP53 271/4885TSHR 2816/4885ALDH1A1 4421/4885

“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.