SCHEMBL13232146

SCHEMBL13232146

CC1(C)C(C)(C)C12CCN(CC(N)=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAD52 P43351 1/20 0.31

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
SCHEMBL1008219 0.83 KDM4E (0.52) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL19315929 0.82 KDM4E (0.50) KDM4ETSHRPOLBPKMALDH1A1
Hydrochloric Acid SCHEMBL28802936 0.80 KDM4E (0.48) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL23545614 0.78 KDM4E (0.47) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL17176295 0.78 KDM4E (0.45) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL28803131 0.76 KDM4E (0.44) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL1006696 0.75 KDM4E (0.52) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL458012 0.75 KDM4E (0.68) KDM4ETSHRPOLBPKMALDH1A1
SCHEMBL5307853 0.75 — —
SCHEMBL2821117 0.75 KDM4E (0.68) KDM4ETSHRPOLBPKMALDH1A1

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-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 — — 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 KDM4E 904/4885TSHR 674/4885POLB 4384/4885

“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.

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