SCHEMBL12967950

SCHEMBL12967950

CCCCOc1ccccc1-c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP19A1 P11511 1/20 0.48
ADRB2 P07550 3/20 0.48
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ADRB1 P08588 1/20 0.42
PTPRC P08575 1/20 0.42

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
SCHEMBL15473251 0.92 ADRB2 (0.49) KDM4EADRB2HTR7ALDH1A1SMN1; SMN2
SCHEMBL18071741 0.84 HTR7 (0.46) KDM4EADRB2HTR7ALDH1A1SMN1; SMN2
SCHEMBL10706756 0.83 ADRB2 (0.65) KDM4ECYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL12968482 0.83 CYP1A2 (0.50) KDM4ECYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL12967984 0.82 SYK (0.55) KDM4ECYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL12958317 0.82 IDO1 (0.49) KDM4EADRB2HTR7ALDH1A1SMN1; SMN2
SCHEMBL34465293 0.78 ADRB2 (0.63) KDM4EADRB2HTR7ALDH1A1SMN1; SMN2
SCHEMBL7638760 0.78 ADRB2 (0.63) KDM4EADRB2HTR7ALDH1A1SMN1; SMN2
SCHEMBL11146857 0.78 ADRA2A (0.49) HTR7ALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL29997368 0.78 KDM4E (0.51) KDM4ECYP1A2CYP2C9CYP2C19CYP19A1

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 KDM4E 2745/4885CYP1A2 48/4885CYP2C9 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.