SCHEMBL4970676

SCHEMBL4970676

CCOC(=O)C=CC(=O)N1CCOc2c(C)cc(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 7/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GAA P10253 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL4970673 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL4969747 0.85 MAPT (0.35) ALDH1A1MAPTHTTL3MBTL1MEN1
SCHEMBL14433154 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHCAR2
SCHEMBL4970993 0.76 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNA
SCHEMBL4970985 0.76 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNA
SCHEMBL23729551 0.67 L3MBTL1 (0.37) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL30697866 0.65 ALDH1A1 (0.70) ALDH1A1MAPTLMNAL3MBTL1MEN1
SCHEMBL2775391 0.64 CA12 (0.51) ALDH1A1MAPTLMNAHCAR2KDM4E
SCHEMBL2775389 0.64 CA12 (0.51) ALDH1A1MAPTLMNAHCAR2KDM4E
Diethyl Maleate SCHEMBL28963047 0.64 HCAR2 (0.53) ALDH1A1MAPTHTTLMNAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 ALDH1A1 142/4885MAPT 387/4885HTT 772/4885

“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.