SCHEMBL13719652

SCHEMBL13719652

O=C1C(=Cc2ccccc2Br)CNCC1=Cc1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 1.00
DYRK2 Q92630 3/20 1.00
HSD11B1 P28845 2/20 0.73
RAF1 P04049 2/20 0.64
RPS6KB1 P23443 2/20 0.64
MAPK1 P28482 2/20 0.64
AKT1 P31749 2/20 0.64
AKT2 P31751 2/20 0.64
KDR P35968 2/20 0.64
PRKAG1 P54619 2/20 0.64
MAP2K1 Q02750 2/20 0.64
PRKAA1 Q13131 2/20 0.64
MAPK14 Q16539 2/20 0.64
NEK1 Q96PY6 2/20 0.64
PRKAB1 Q9Y478 2/20 0.64
EP300 Q09472 2/20 0.54
CARM1 Q86X55 2/20 0.54
EGFR P00533 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
PRDX1 Q06830 1/20 0.49

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
SCHEMBL13719651 1.00 IKBKB (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL29928839 1.00 IKBKB (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL29929418 0.78 DYRK2 (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL29363457 0.78 IKBKB (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL29786707 0.78 IKBKB (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL13036873 0.78 DYRK2 (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL7122621 0.78 DYRK2 (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL7122623 0.78 DYRK2 (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL17691411 0.78 IKBKB (0.64) IKBKBDYRK2HSD11B1RAF1RPS6KB1
SCHEMBL30593591 0.78 IKBKB (1.00) IKBKBDYRK2HSD11B1RAF1RPS6KB1

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-9359196-B2 Antiproliferative compositions comprising curcumin analogs and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-06-07 US disclosed
US-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2012-11-15 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-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME MCL1, LITAF, CTSA IKBKB 3061/4885DYRK2 4648/4885HSD11B1 4453/4885

“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.