SCHEMBL4333584

SCHEMBL4333584

C=C(CCC(=O)Cl)OOC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14217520 0.81
SCHEMBL14299774 0.68 TSHR (0.54) TSHRALDH1A1
SCHEMBL12043032 0.68 TSHR (0.54) TSHRALDH1A1
SCHEMBL43375 0.67
SCHEMBL18056647 0.67
SCHEMBL13536885 0.67
SCHEMBL19261268 0.66
SCHEMBL124614 0.65
SCHEMBL11414863 0.64
Hydrochloric Acid SCHEMBL9195017 0.64

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 6 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
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US 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-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 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 (2 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-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY DNMT1, DNMT3B, DNMT3A TSHR 3669/4885ALDH1A1 1131/4885TP53 366/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 TSHR 3621/4885ALDH1A1 2328/4885TP53 34/4885

“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.