SCHEMBL15004023

SCHEMBL15004023

CCC(=O)NCCCNC(=S)Nc1ccc(C2=C3C=CC(=O)C=C3OC3C=C(O)C=CC23)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.37
▸ GSK3B P49841 4/20 0.35
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ ADORA3 P0DMS8 4/20 0.33
▸ ADORA2A P29274 4/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ CA7 P43166 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL12518496 0.92 KDM4C (0.40) KDM4CGSK3BHDAC1HDAC6ADORA3
SCHEMBL10063378 0.90 KDM4C (0.35) KDM4CGSK3BHDAC1HDAC6ADORA3
SCHEMBL25612307 0.89 HDAC6 (0.39) KDM4CGSK3BHDAC1HDAC6ADORA3
SCHEMBL25612300 0.88 HDAC6 (0.40) KDM4CGSK3BHDAC1HDAC6ADORA3
SCHEMBL14367912 0.87 KDM4C (0.34) KDM4C
SCHEMBL18625282 0.86 KDM4C (0.35) KDM4CCA12CA1CA2CA9
SCHEMBL16602269 0.84 KDM4C (0.32) KDM4C
SCHEMBL10110874 0.82 KDM4C (0.31) KDM4C
SCHEMBL16522851 0.82 — —
SCHEMBL19771793 0.81 KDM4C (0.35) KDM4CGSK3BHDAC1HDAC6ADORA3

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-20130142734-A1 TARGETED DELIVERY SYSTEMS FOR DIAGNOSTIC APPLICATIONS DAVID AYELET (IL) 2013-06-06 — — 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-20130142734-A1 TARGETED DELIVERY SYSTEMS FOR DIAGNOSTIC APPLICATIONS FCGR2A, FCER2, FCGR1A KDM4C 3504/4885GSK3B 4861/4885HDAC1 2688/4885

“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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