SCHEMBL12296384

SCHEMBL12296384

COc1ccc(C(C)N(C)C(C)=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
FDPS P14324 1/20 0.43

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
SCHEMBL12244183 0.88 AKR1C3 (0.41) KMT2AMEN1
SCHEMBL7430435 0.79 PPARG (0.51) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8193391 0.78 ACHE (0.54) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27806088 0.77 HIF1A (0.50) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16867623 0.76 ACHE (0.53) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL19365873 0.76 ACHE (0.53) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16867628 0.76 ACHE (0.53) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL18679866 0.73 ACHE (0.50) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL19407170 0.73 ACHE (0.47) ACHECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL9781292 0.73 ACHE (0.43) ACHECYP1A2CYP2C9CYP2C19KMT2A

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-8470889-B2 Hybrid-ionone and curcumin molecules as anticancer agents TRT PHARMA INC. (CA) 2013-06-25 US disclosed
US-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS TRT PHARMA INC. (CA) 2011-09-22 US disclosed
WO-2010060214-A1 HYBRID -IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS TRT PHARMA INC . (CA) 2010-06-03 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-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS IKBKG, HSD17B11, IKBKE ACHE 3213/4885CYP1A2 1997/4885CYP2C9 3477/4885

“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.