SCHEMBL2226376

SCHEMBL2226376

CCOC(=O)CCN(Cc1ccccc1)C(=O)CC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 6/20 0.47
LTA4H P09960 2/20 0.47
REN P00797 2/20 0.46
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PPID Q08752 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 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
SCHEMBL2224578 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALOX5ALDH1A1LTA4HREN
SCHEMBL20347975 0.86 REN (0.58) SMN1; SMN2ALOX5ALDH1A1LTA4HREN
SCHEMBL14861373 0.83 TDP1 (0.48) ALDH1A1RENLMNAHSD17B10MAPK1
SCHEMBL20347758 0.81 ALOX5 (0.54) ALOX5LTA4HRENMAPK1NPC1
SCHEMBL4694043 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBL3MBTL1TDP1
SCHEMBL10752510 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALOX5ALDH1A1LTA4HNPC1
SCHEMBL10671560 0.81 ALOX5 (0.48) SMN1; SMN2ALOX5ALDH1A1LTA4HLMNA
SCHEMBL9686760 0.80 PIN1 (0.53) SMN1; SMN2ALOX5ALDH1A1LMNAHSD17B10
SCHEMBL4241630 0.80 ALDH1A1 (0.49) ALDH1A1RENLMNANPC1POLB
SCHEMBL9324850 0.80 SMN1; SMN2 (0.55) SMN1; SMN2ALOX5ALDH1A1LTA4HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SMN1; SMN2 4086/4885ALOX5 1845/4885ALDH1A1 1168/4885

“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.