SCHEMBL706833

SCHEMBL706833

CC(C)[C@@](C)(c1ccc(-c2ccc(C(C)(C)O)nn2)cc1)c1ccc(OCc2ncccn2)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.72
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
PDE10A Q9Y233 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADAMTS4 O75173 1/20 0.30

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
SCHEMBL706834 1.00 ALOX5AP (0.72) ALOX5APCYP4F2CYP4A11PDE10ACYP17A1
SCHEMBL708386 0.90 ALOX5AP (0.90) ALOX5APCYP4F2CYP4A11CYP17A1CYP3A4
SCHEMBL708385 0.90 ALOX5AP (0.90) ALOX5APCYP4F2CYP4A11CYP17A1CYP3A4
SCHEMBL710361 0.87 ALOX5AP (0.58) ALOX5APCYP4F2CYP4A11ADAMTS4
SCHEMBL709308 0.85 ALOX5AP (0.63) ALOX5APCYP4F2CYP4A11PDE10A
SCHEMBL707622 0.85 ALOX5AP (0.63) ALOX5APCYP4F2CYP4A11PDE10A
SCHEMBL480273 0.84 ALOX5AP (1.00) ALOX5APADAMTS4
SCHEMBL9924162 0.82 ALOX5AP (0.51) ALOX5AP
SCHEMBL4046819 0.82 ALOX5AP (0.53) ALOX5APCYP4F2CYP4A11PDE10AADAMTS4
SCHEMBL9924121 0.82 ALOX5AP (0.52) ALOX5APCYP4F2CYP4A11

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-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US claimed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US claimed

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-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885CYP4F2 402/4885CYP4A11 457/4885

“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.