SCHEMBL18014736

SCHEMBL18014736

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
ICMT O60725 8/20 0.43
ADAM17 P78536 2/20 0.43
THRB P10828 1/20 0.43
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
SERPINE1 P05121 1/20 0.39
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38

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
SCHEMBL16629671 0.92 CYP19A1 (0.47) CYP19A1ICMTADAM17THRBHDAC3
SCHEMBL21116048 0.89 CYP19A1 (0.44) CYP19A1ICMTADAM17THRBHDAC3
SCHEMBL17968715 0.75 PSEN1 (0.69)
SCHEMBL18014734 0.70 PDE4A (0.42) ICMT
SCHEMBL24145007 0.66 HTR1D (0.45) ICMT
SCHEMBL14945521 0.66 CA12 (0.46) CYP19A1
SCHEMBL12517362 0.66 CYP19A1 (0.59) CYP19A1HDAC3HDAC2HDAC8SRD5A2
SCHEMBL25960519 0.65 CYP19A1 (0.57) CYP19A1
SCHEMBL13802401 0.64 PPARD (0.69) ICMT
SCHEMBL18014727 0.64 HTR1D (0.54) ICMTKCNQ3KCNQ2KCNQ4KCNQ5

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CYP19A1 1060/4885ICMT 4745/4885ADAM17 60/4885

“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.