SCHEMBL14898151

SCHEMBL14898151

COC(=O)c1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
EGFR P00533 1/20 0.43
SLC2A1 P11166 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL30963922 0.89 CA1 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL203450 0.89 CA1 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL17992304 0.83 EGFR (0.57) ERN1EGFRSLC2A1MAPTRAB9A
SCHEMBL14898032 0.83 EGFR (0.40) ERN1EGFRTDP1CA1CA2
SCHEMBL14696435 0.81 LIPG (0.45) TDP1CA1CA2CA12CA9
SCHEMBL5538644 0.81 CYP4F2 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL960031 0.81 ALDH1A1 (0.43) TDP1CA1CA2CA12CA9
SCHEMBL16968584 0.80 LIPG (0.56) TDP1CA1CA2CA12CA9
SCHEMBL30963854 0.80 CA12 (0.41) TDP1CA1CA2CA12CA9
SCHEMBL1289675 0.80 CA12 (0.41) TDP1CA1CA2CA12CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO 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 (3 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A ERN1 3257/4885EGFR 455/4885SLC2A1 3830/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 ERN1 1720/4885EGFR 2991/4885SLC2A1 4002/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 ERN1 1720/4885EGFR 2991/4885SLC2A1 4002/4885

“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.