SCHEMBL3928441

SCHEMBL3928441

CCOC(=O)C(=O)CC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
RORC P51449 1/20 0.47
CENPE Q02224 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RX3 P56373 4/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
CSNK2A1 P68400 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL16273617 0.87 RORC (0.49) ALDH1A1SMN1; SMN2POLBRORCCENPE
SCHEMBL17420787 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBRORCCENPE
SCHEMBL2552098 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2POLBTSHRMAPT
SCHEMBL2258238 0.79 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2POLBTSHRMAPT
SCHEMBL15659408 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RORCTSHRMAPT
SCHEMBL13962736 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBRORCCENPE
SCHEMBL1110132 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBTSHRMAPT
SCHEMBL4688947 0.76 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2POLBMEN1LMNA
SCHEMBL14417654 0.75 PDK1 (0.49) ALDH1A1SMN1; SMN2RORCCENPEMAPT
SCHEMBL1686217 0.75 ERCC5 (0.59) ALDH1A1SMN1; SMN2POLBTSHRMAPT

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885SMN1; SMN2 3501/4885POLB 1544/4885

“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.