SCHEMBL2447577

SCHEMBL2447577

[Li]c1ccc(C(C)(C)C)c(OC)c1O[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TNFRSF1A P19438 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
SCHEMBL1620557 0.76 CA1 (0.39) ALOX5APFEN1TNFRSF1A
SCHEMBL336062 0.74 NR1H4 (0.36) ALOX5APFEN1TNFRSF1A
SCHEMBL12098191 0.72 TNFRSF1A (0.40) TNFRSF1A
SCHEMBL5383978 0.72 CA1 (0.39) ALOX5APFEN1TNFRSF1A
SCHEMBL8520393 0.69 POLB (0.42) TNFRSF1A
SCHEMBL3857395 0.68 NFE2L2 (0.45) TNFRSF1A
SCHEMBL3859840 0.68 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL3835342 0.68 ALOX5AP (0.38) ALOX5APFEN1
SCHEMBL11441072 0.67 HPGD (0.41) ALOX5APFEN1
SCHEMBL2128910 0.66 CA2 (0.40) ALOX5APFEN1TNFRSF1A

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-8946289-B2 Manassatin compounds and methods of making and using the same DUKE UNIVERSITY (US) 2015-02-03 US disclosed
US-20110230540-A1 MANASSATIN COMPOUNDS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2011-09-22 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-20110230540-A1 MANASSATIN COMPOUNDS AND METHODS OF MAKING AND USING THE SAME HIF1AN, HIF1A, EGLN2 ALOX5AP 1619/4885FEN1 1953/4885TNFRSF1A 3599/4885

“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.