SCHEMBL22192829

SCHEMBL22192829

Nc1ccccc1C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
HSD17B10 Q99714 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL29394630 0.83 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1RAB9AMAPK1
SCHEMBL445585 0.83 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1RAB9AMAPK1
SCHEMBL21367571 0.81 TDP1 (0.70) ALDH1A1HSD17B10TDP1MAPK1L3MBTL1
SCHEMBL2704242 0.80 ALDH1A1 (0.53) ALDH1A1TDP1RAB9AMAPK1L3MBTL1
SCHEMBL13595553 0.80 CES2 (0.55) ALDH1A1TDP1RAB9AMAPK1L3MBTL1
SCHEMBL25552709 0.79 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL2171004 0.78 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL27144 0.78 ALDH1A1 (0.68) ALDH1A1TDP1RAB9AMAPK1L3MBTL1
SCHEMBL7638383 0.78 NR4A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1NPC1
SCHEMBL20664990 0.77 TDP1 (0.60) ALDH1A1TDP1RAB9AMAPK1L3MBTL1

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-10703745-B2 Acyl phosphonamidates and acyl benzylamines that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer UNITY BIOTECHNOLOGY, INC. (US) 2020-07-07 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-10703745-B2 Acyl phosphonamidates and acyl benzylamines that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer BAX, BCL2, BCOR ALDH1A1 4045/4885HSD17B10 3727/4885TDP1 982/4885

“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.