SCHEMBL10242217

SCHEMBL10242217

COc1cc(C)c(C(C)C)c(F)c1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
CA9 Q16790 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AKR1B1 P15121 1/20 0.35
STING1 Q86WV6 1/20 0.35
PTGS2 P35354 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
CYP19A1 P11511 1/20 0.33
NQO2 P16083 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
SCHEMBL20780496 0.81 ACHE (0.38) ACHEPOLBGAAGFERMAPT
SCHEMBL531860 0.80 POLB (0.37) ACHEPOLBMAPTCYP3A4TUBB1
SCHEMBL13413320 0.77 TAAR1 (0.44) ACHESTING1PTGS2TUBB1
SCHEMBL13395094 0.77 CYP3A4 (0.40) ACHEPOLBMAPTCYP3A4CA9
SCHEMBL16134100 0.77 POLB (0.42) POLBGAAGFERMAPTPDE3B
SCHEMBL11974270 0.76 POLB (0.44) ACHEPOLBGAAGFERMAPT
SCHEMBL15713191 0.73 ACHE (0.48) ACHEGAAMAPTCYP3A4CA9
SCHEMBL17084597 0.73 POLB (0.42) ACHEPOLBGAAGFERMAPT
SCHEMBL16134102 0.73 POLB (0.42) POLBGAAGFERMAPTPDE3B
SCHEMBL16134101 0.73 POLB (0.39) POLBGAAGFERPDE3BPDE3A

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-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP ACHE 3203/4885POLB 1365/4885GAA 1732/4885

“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.