SCHEMBL16629671

SCHEMBL16629671

C#CCOc1ccc(C(=O)c2ccc(Cn3cc(CC)c4cc(C(F)(F)F)ccc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
THRB P10828 1/20 0.47
ICMT O60725 6/20 0.43
ADAM17 P78536 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
SRD5A2 P31213 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL18014736 0.92 CYP19A1 (0.45) CYP19A1THRBICMTADAM17HDAC3
SCHEMBL21116048 0.91 CYP19A1 (0.44) CYP19A1THRBICMTADAM17HDAC3
SCHEMBL17968715 0.77 PSEN1 (0.69)
SCHEMBL25960519 0.71 CYP19A1 (0.57) CYP19A1
SCHEMBL18015845 0.70 PDE4A (0.47) ICMTEGFR
SCHEMBL12517362 0.67 CYP19A1 (0.59) CYP19A1HDAC3HDAC2HDAC8SRD5A2
SCHEMBL13802401 0.66 PPARD (0.69) ICMT
SCHEMBL21324616 0.65 CYP19A1 (0.53) CYP19A1SRD5A2LMNA
SCHEMBL21324729 0.65 CYP19A1 (0.55) CYP19A1SRD5A2
SCHEMBL10572213 0.65 GSTP1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CYP19A1 1060/4885THRB 1797/4885ICMT 4745/4885

“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.