SCHEMBL13719950

SCHEMBL13719950

O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ACHE P22303 3/20 0.57
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
DYRK2 Q92630 1/20 0.53
BCHE P06276 1/20 0.51
PTGS2 P35354 1/20 0.51
PAX8 Q06710 1/20 0.51
MAOB P27338 6/20 0.50
FGFR1 P11362 1/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
EGFR P00533 1/20 0.49
MAOA P21397 1/20 0.47
GSK3B P49841 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13719949 1.00 IKBKB (0.67) IKBKBMEN1KMT2AACHEAKR1C3
SCHEMBL15940019 0.88 MEN1 (0.53) IKBKBMEN1KMT2AACHEAKR1C3
SCHEMBL15940018 0.88 MEN1 (0.53) IKBKBMEN1KMT2AACHEAKR1C3
SCHEMBL23922931 0.83 MAOB (0.67) ACHEAKR1C3AKR1C1PTGS2PAX8
SCHEMBL933876 0.80 IKBKB (1.00) IKBKBMEN1KMT2AACHEDYRK2
SCHEMBL21166874 0.80 IKBKB (0.67) IKBKBMEN1KMT2AACHEDYRK2
SCHEMBL932826 0.80 IKBKB (1.00) IKBKBMEN1KMT2AACHEDYRK2
SCHEMBL21166873 0.80 IKBKB (0.67) IKBKBMEN1KMT2AACHEDYRK2
SCHEMBL11841748 0.80 AKR1C3 (0.70) AKR1C3AKR1C1MAOBEGFRCYP1A2
SCHEMBL11817550 0.80 AKR1C3 (0.76) AKR1C3AKR1C1PTGS2MAOBEGFR

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 3061/4885MEN1 1097/4885KMT2A 849/4885

“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.