SCHEMBL4463210

SCHEMBL4463210

Cc1ccc(/C=C2/CNC/C(=C\c3ccc(C)cc3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
IKBKB O14920 6/20 0.67
CYP1A2 P05177 2/20 0.67
ACHE P22303 4/20 0.57
BCHE P06276 1/20 0.55
PTGS2 P35354 1/20 0.55
MIF P14174 2/20 0.50
PIM1 P11309 1/20 0.50
HPGD P15428 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
FGFR1 P11362 1/20 0.50
RAF1 P04049 2/20 0.47
RPS6KB1 P23443 2/20 0.47
MAPK1 P28482 2/20 0.47
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
KDR P35968 2/20 0.47
PRKAG1 P54619 2/20 0.47
MAP2K1 Q02750 2/20 0.47

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
SCHEMBL4463213 1.00 KMT2A (1.00) KMT2AMEN1IKBKBCYP1A2ACHE
SCHEMBL14820391 1.00 KMT2A (1.00) KMT2AMEN1IKBKBCYP1A2ACHE
Hydrochloric Acid SCHEMBL15872122 0.98 KMT2A (0.96) KMT2AMEN1IKBKBCYP1A2ACHE
Hydrochloric Acid SCHEMBL29493044 0.98 KMT2A (0.96) KMT2AMEN1IKBKBCYP1A2ACHE
Hydrochloric Acid SCHEMBL15872121 0.98 KMT2A (0.96) KMT2AMEN1IKBKBCYP1A2ACHE
SCHEMBL23923069 0.83 CYP1A2 (0.85) KMT2AMEN1CYP1A2ACHEPTGS2
SCHEMBL14017013 0.83 CYP1A2 (0.85) KMT2AMEN1CYP1A2ACHEPTGS2
SCHEMBL932826 0.80 IKBKB (1.00) KMT2AMEN1IKBKBCYP1A2ACHE
SCHEMBL11482541 0.80 CYP1A2 (1.00) KMT2AMEN1CYP1A2ACHEBCHE
SCHEMBL21166873 0.80 IKBKB (0.67) KMT2AMEN1IKBKBCYP1A2ACHE

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-7582655-B2 1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-bis(phenylmethylene)-4-piperidone hydrochloride; useful in reversing multidrug resistance UNIVERSITY OF SASKATCHEWAN (CA) 2009-09-01 US disclosed
EP-1960358-A1 ANTINEOPLASTIC COMPOUNDS University of Saskatchewan (CA) 2008-08-27 EP disclosed
US-20070155733-A1 1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-bis(phenylmethylene)-4-piperidone hydrochloride; useful in reversing multidrug resistance UNIVERSITY OF SASKATCHEWAN (CA) 2007-07-05 US disclosed
WO-2007059613-A1 ANTINEOPLASTIC COMPOUNDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-05-31 WO 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-20070155733-A1 1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-bis(phenylmethylene)-4-piperidone hydrochloride; useful in reversing multidrug resistance ABCC1, MCL1, SLC11A2 KMT2A 1855/4885MEN1 3367/4885IKBKB 253/4885

“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.