SCHEMBL13536780

SCHEMBL13536780

O=Cc1ccc(-c2cccc(CBr)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.47
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
BCHE P06276 1/20 0.41
KIF11 P52732 1/20 0.40
ELANE P08246 1/20 0.40
BCL2 P10415 1/20 0.39
AOC3 Q16853 1/20 0.38
GGPS1 O95749 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN5 P54829 1/20 0.37
AGXT P21549 2/20 0.37
MMP3 P08254 1/20 0.37
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL18229517 0.82 PRKCI (0.56) DRD1TRIM24TRIM33CA12CA1
SCHEMBL17472700 0.82 BCL2 (0.58) DRD1TRIM24TRIM33CA12CA1
SCHEMBL1315024 0.81 TAAR1 (0.51) DRD1BCHEAOC3
SCHEMBL30987239 0.81 TRPA1 (0.50) CYP4F2CYP4A11BCL2AOC3GGPS1
SCHEMBL3360115 0.81 DRD1 (0.42) DRD1KIF11ALDH1A1
SCHEMBL1311054 0.81 TRPA1 (0.50) CYP4F2CYP4A11BCL2AOC3GGPS1
SCHEMBL1669178 0.80 DRD1 (0.59) DRD1TRIM24TRIM33CA12CA1
SCHEMBL30987236 0.80 TRPA1 (0.52) CYP4F2CYP4A11BCHEBCL2AOC3
SCHEMBL1259618 0.80 TRPA1 (0.52) CYP4F2CYP4A11BCHEBCL2AOC3
SCHEMBL17472653 0.79 DRD1 (0.45) DRD1TRIM24TRIM33CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 DRD1 4697/4885TRIM24 2070/4885TRIM33 2605/4885

“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.