SCHEMBL686152

SCHEMBL686152

CC(C)(CC(C)(C)C(=O)OCCCSSc1ccccn1)C(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.39
HDAC2 Q92769 13/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL686399 0.85 HDAC1 (0.42) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL20272385 0.80 LMNA (0.44) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL14817461 0.80 HDAC1 (0.45) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL9906791 0.79 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL18622527 0.78 LMNA (0.44) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL9906799 0.78 LMNA (0.36) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL28255049 0.78 HDAC1 (0.48) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL3093190 0.78 HDAC1 (0.46) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL2738376 0.77 LMNA (0.49) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL9906788 0.77 LMNA (0.43) HDAC1HDAC2LMNAALDH1A1EHMT2

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-20110286935-A1 Multi-Functional Nano-Device ATRP Solutions, Inc. (US) 2011-11-24 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-20110286935-A1 Multi-Functional Nano-Device CD47, FCGRT, FCGR3B HDAC1 3013/4885HDAC2 3718/4885LMNA 4617/4885

“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.