SCHEMBL13643171

SCHEMBL13643171

CC(CCO)Cc1ccc(C(=O)CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.49
PTPN1 P18031 6/20 0.46
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.37
ANPEP P15144 1/20 0.35
ENPEP Q07075 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
SCHEMBL4818283 0.81 GSK3B (0.57) GSK3BPTPN1
SCHEMBL14531325 0.77 GSK3B (0.42) GSK3BPTPN1ANPEPENPEP
SCHEMBL20221599 0.77 ESR1 (0.55) GSK3BPTPN1
SCHEMBL3222270 0.76 GSK3B (0.44) GSK3BPTPN1ANPEPENPEP
SCHEMBL13643091 0.76 GSK3B (0.38) GSK3BPTPN1
SCHEMBL13643094 0.75 ACACB (0.41)
SCHEMBL5728691 0.75 ACACB (0.41)
SCHEMBL6140804 0.75 GSK3B (0.53) GSK3BPTPN1
SCHEMBL13643238 0.74 GSK3B (0.53) GSK3BPTPN1
SCHEMBL8611695 0.74 CYP4A11 (0.56) GSK3BPTPN1CYP4A11CYP4F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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 (2 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 GSK3B 1763/4885PTPN1 3710/4885CYP4A11 4619/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 GSK3B 1323/4885PTPN1 3910/4885CYP4A11 4488/4885

“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.