SCHEMBL3957397

SCHEMBL3957397

COc1ccc(N(C)c2nc(OCCCCCCCO)nc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.62
PDGFRB P09619 2/20 0.62
KDR P35968 2/20 0.62
HDAC1 Q13547 9/20 0.54
HDAC8 Q9BY41 8/20 0.54
HDAC6 Q9UBN7 8/20 0.54
MERTK Q12866 2/20 0.53
CASP1 P29466 1/20 0.51
CASP14 P31944 1/20 0.51
CASP3 P42574 1/20 0.51
CASP2 P42575 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP12 Q6UXS9 1/20 0.51
CASP10 Q92851 1/20 0.51
TUBB4A P04350 1/20 0.48

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
SCHEMBL3958767 1.00 EGFR (0.62) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL14067216 0.96 EGFR (0.61) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3956595 0.89 HDAC1 (0.59) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3964489 0.89 HDAC1 (0.59) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3954468 0.88 HDAC1 (0.60) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3963494 0.88 HDAC1 (0.60) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3962758 0.87 HDAC1 (0.58) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3109846 0.86 EGFR (0.64) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3960004 0.86 HDAC1 (0.60) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3114847 0.85 EGFR (0.62) EGFRPDGFRBKDRHDAC1HDAC8

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
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2009036057-A1 ANTIPROLIFERATIVE AGENTS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885PDGFRB 1790/4885KDR 2667/4885

“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.