SCHEMBL13413631

SCHEMBL13413631

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(C=O)[C@@H](C)[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.61
NR1I2 O75469 1/20 0.51

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
SCHEMBL14214507 0.92 CETP (0.56) CETPNR1I2
SCHEMBL17582685 0.86 CETP (0.65) CETPNR1I2
SCHEMBL17582686 0.86 CETP (0.65) CETPNR1I2
SCHEMBL531709 0.82 CETP (0.62) CETPNR1I2
SCHEMBL3559487 0.81 CETP (0.70) CETPNR1I2
SCHEMBL13413608 0.80 CETP (0.44) CETPNR1I2
SCHEMBL13413626 0.80 CETP (0.59) CETPNR1I2
SCHEMBL13413098 0.79 CETP (0.53) CETPNR1I2
SCHEMBL532086 0.79 CETP (0.60) CETPNR1I2
SCHEMBL5179065 0.79 CETP (0.60) CETPNR1I2

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-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 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-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885

“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.