SCHEMBL12296385

SCHEMBL12296385

CC(=O)N(C)C(C)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ACP3 P15309 1/20 0.42
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 4/20 0.40
POLQ O75417 1/20 0.39
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL12944873 0.82 CNR2 (0.41) CRHBPCRHR2ACP3CNR2SMN1; SMN2
SCHEMBL9286637 0.82 CNR2 (0.41) CRHBPCRHR2ACP3CNR2SMN1; SMN2
SCHEMBL12244178 0.78 CES2 (0.42) CNR2ALDH1A1LMNAGAA
SCHEMBL12244177 0.76 ESR1 (0.39) ACP3ALDH1A1LMNA
SCHEMBL6167147 0.75 ACP3 (0.43) CRHBPCRHR2ACP3CNR2SMN1; SMN2
SCHEMBL8921824 0.75 ACP3 (0.43) CRHBPCRHR2ACP3CNR2SMN1; SMN2
SCHEMBL29129004 0.74 ACP3 (0.47) ACP3CNR2SMN1; SMN2HSD11B1P2RX7
SCHEMBL27691016 0.74 ACP3 (0.47) ACP3CNR2SMN1; SMN2HSD11B1P2RX7
Acetic Acid SCHEMBL10562657 0.73 ACP3 (0.47) ACP3CNR2SMN1; SMN2HSD11B1P2RX7
SCHEMBL888787 0.73 POLQ (0.41) CRHBPCRHR2ACP3CNR2SMN1; SMN2

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 CRHBP 746/4885CRHR2 2675/4885ACP3 397/4885

“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.