SCHEMBL6512594

SCHEMBL6512594

CCC(C)(Cc1ccccc1)C(=O)C(=O)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RIPK1 Q13546 3/20 0.43
RECQL P46063 2/20 0.42
CYP1A2 P05177 1/20 0.42
MMP8 P22894 4/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL12268231 0.80 RIPK1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL3270164 0.78 PPARA (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL6511088 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3270827 0.77 MMP8 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL12268256 0.76 RIPK1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL29290738 0.75 SMN1; SMN2 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL16321815 0.72 RIPK1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL27446496 0.72 SMN1; SMN2 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL17300282 0.72 RIPK1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL27908890 0.72 SMN1; SMN2 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL

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
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
US-20040259833-A1 DNA methyl transferase inhibitors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-12-23 US disclosed
EP-1420021-A1 DNA Methyltransferase inhibitors The Penn State Research Foundation (US) 2004-05-19 EP disclosed
EP-1181291-A2 DNA METHYLTRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2002-02-27 EP disclosed
WO-2000075142-A2 DNA METHYLTRANSFERASE INHIBITORS THE PENN STATE RESEARCH FOUNDATION (US) 2000-12-14 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-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT ALDH1A1 2015/4885CYP3A4 4010/4885CYP2C9 4623/4885
US-20040259833-A1 DNA methyl transferase inhibitors DNMT1, DNMT3A, DIMT1 ALDH1A1 2274/4885CYP3A4 2243/4885CYP2C9 2726/4885

“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.