SCHEMBL4579496

SCHEMBL4579496

CC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCCC2)C2=C(CC3(CCC3)CC2=O)N1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 17/20 0.44
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
PTPN1 P18031 1/20 0.33

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 0.89 CETP (0.43) CETP
SCHEMBL4579478 0.88 CETP (0.44) CETPCCR1CCR2
SCHEMBL4579894 0.82 CETP (0.41) CETPCCR1CCR2
SCHEMBL4578796 0.81 CETP (0.42) CETPCCR1CCR2
SCHEMBL971430 0.80 NOTCH1 (0.41) CETP
SCHEMBL972797 0.79 NOTCH1 (0.42) CETP
SCHEMBL10038016 0.78 ALDH1A1 (0.41)
SCHEMBL4578818 0.74 CETP (0.44) CETP
SCHEMBL713237 0.74 CETP (0.44) CETP
SCHEMBL972055 0.73 GSK3A (0.39) CETP

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 1/4885CCR1 3909/4885CCR2 2944/4885

“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.