SCHEMBL12968482

SCHEMBL12968482

CCCCOc1ccccc1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP19A1 P11511 2/20 0.50
KDM4E B2RXH2 3/20 0.48
ADRB2 P07550 3/20 0.47
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 3/20 0.45
FYN P06241 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL15473213 0.92 ADRB2 (0.48) CYP1A2CYP2C19CYP2C9CYP19A1KDM4E
SCHEMBL18071656 0.83 TP53 (0.45) ADRB2HTR7FYNTP53MAPK1
SCHEMBL12967950 0.83 KDM4E (0.49) CYP1A2CYP2C19CYP2C9CYP19A1KDM4E
SCHEMBL12221501 0.83 CYP11B1 (0.40) CYP1A2CYP2C19CYP2C9CYP19A1
SCHEMBL12958354 0.82 IDO1 (0.48) ADRB2HTR7FYNTP53MAPK1
SCHEMBL10706756 0.82 ADRB2 (0.65) CYP1A2CYP2C19CYP2C9CYP19A1KDM4E
SCHEMBL28460740 0.82 FYN (0.43) KDM4EADRB2L3MBTL1HTR7FYN
SCHEMBL12191925 0.79 PPARG (0.38) CYP1A2CYP2C19CYP2C9CYP19A1
SCHEMBL29997103 0.78 KDM4E (0.53) CYP1A2CYP2C19CYP2C9CYP19A1KDM4E
SCHEMBL28459155 0.77 HTR7 (0.44) KDM4EL3MBTL1HTR7ALDH1A1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 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-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 CYP1A2 48/4885CYP2C19 2/4885CYP2C9 17/4885

“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.