SCHEMBL6512598

SCHEMBL6512598

CCC(C(C)=O)C(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
KEAP1 Q14145 1/20 0.50
FFAR1 O14842 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL11087566 0.89 ALDH1A1 (0.55) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL14112339 0.80 ALDH1A1 (0.57) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL10889375 0.79 ALDH1A1 (0.52) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL30672191 0.79 ALDH1A1 (0.55) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL19520263 0.79 ALDH1A1 (0.60) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL107274 0.79 ALDH1A1 (0.55) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL5599125 0.78 KEAP1 (0.63) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL7581741 0.77 KEAP1 (0.61) ALDH1A1KEAP1FFAR1HDAC2HDAC8
Hydrochloric Acid SCHEMBL10803046 0.76 ALDH1A1 (0.56) ALDH1A1KEAP1FFAR1SMN1; SMN2HDAC2
SCHEMBL28140267 0.76 MDM2 (0.49) ALDH1A1KEAP1

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 2015/4885KEAP1 1213/4885FFAR1 4059/4885
US-20040259833-A1 DNA methyl transferase inhibitors DNMT1, DNMT3A, DIMT1 ALDH1A1 2274/4885KEAP1 2770/4885FFAR1 4735/4885

“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.