SCHEMBL4579478

SCHEMBL4579478

CC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCCCC2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.44
NOTCH1 P46531 1/20 0.42
GSK3A P49840 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL711884 0.99 CETP (0.43) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL972797 0.91 NOTCH1 (0.42) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL971430 0.90 NOTCH1 (0.41) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL10038016 0.88 ALDH1A1 (0.41) GSK3AMEN1KMT2AGSK3BTSHR
SCHEMBL4579496 0.88 CETP (0.44) CETPCCR1CCR2
SCHEMBL713237 0.86 CETP (0.44) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL4578818 0.85 CETP (0.44) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL972055 0.82 GSK3A (0.39) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL971304 0.81 NOTCH1 (0.43) CETPNOTCH1GSK3AMEN1KMT2A
SCHEMBL973087 0.80 NOTCH1 (0.47) NOTCH1GSK3AMEN1KMT2ACCR2

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-20080194609-A1 Chemical Compound and Its Use BAYER HEATHCARE AG (DE) 2008-08-14 US disclosed
US-20080194609-A1 Chemical Compound and Its Use BAYER HEATHCARE AG (DE) 2008-08-14 US disclosed
US-20080194609-A1 Chemical Compound and Its Use BAYER HEATHCARE AG (DE) 2008-08-14 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-20080194609-A1 Chemical Compound and Its Use CETP, MTTP, LCAT CETP 1/4885NOTCH1 2558/4885GSK3A 1106/4885

“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.