SCHEMBL6479519

SCHEMBL6479519

COc1ccc(I)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
HTR2A P28223 1/20 0.41
WDR5 P61964 2/20 0.38
ERBB2 P04626 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL21662434 0.83 LMNA (0.47) LMNATP53CYP3A4HPGDALOX15
SCHEMBL14934299 0.82 HTR2A (0.42) HPGDALDH1A1HTR2ANR3C2
SCHEMBL9860765 0.79 LMNA (0.32) LMNATP53CYP3A4HPGDALOX15
SCHEMBL10352726 0.78 RARA (0.61) LMNATP53CYP3A4HPGDALOX15
SCHEMBL16516907 0.78 CYP1A2 (0.53) LMNACYP3A4HPGDALDH1A1GAA
SCHEMBL1535615 0.77 HPGD (0.48) LMNATP53CYP3A4HPGDALOX15
SCHEMBL799846 0.77 ALDH1A1 (0.70) LMNATP53CYP3A4HPGDALOX15
SCHEMBL1038127 0.77 ACHE (0.58) LMNATP53CYP3A4HPGDALOX15
SCHEMBL17911566 0.76 RARA (0.42) LMNAALDH1A1GAARARARARB
SCHEMBL8986529 0.76 LMNA (0.44) LMNATP53CYP3A4HPGDALOX15

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-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 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-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 LMNA 1499/4885TP53 468/4885CYP3A4 4622/4885

“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.