SCHEMBL2379843

SCHEMBL2379843

CC(NCC(=O)OC(C)(C)C)c1ccc(C(=O)OC(C)C(C)C)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.34
PTPRC P08575 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MMP1 P03956 1/20 0.32

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
SCHEMBL1828340 0.85 HTT (0.39) L3MBTL1ALDH1A1LMNAHTTCYP2C19
SCHEMBL1829363 0.77 MBTD1 (0.40) L3MBTL1MBTD1L3MBTL3ALDH1A1LMNA
SCHEMBL28733603 0.73 TDP1 (0.43) L3MBTL1MBTD1L3MBTL3ALDH1A1LMNA
SCHEMBL19193984 0.69 L3MBTL1 (0.54) L3MBTL1LMNACYP2C19CYP2D6PTPRC
SCHEMBL27570822 0.69 L3MBTL1 (0.54) L3MBTL1LMNACYP2C19CYP2D6PTPRC
SCHEMBL27551142 0.69 L3MBTL1 (0.54) L3MBTL1LMNACYP2C19CYP2D6PTPRC
SCHEMBL24269352 0.66 CYP2D6 (0.44) L3MBTL1CYP2D6PTPRCMAPT
SCHEMBL1830522 0.66 CA12 (0.43) L3MBTL1MBTD1L3MBTL3ALDH1A1LMNA
SCHEMBL1508734 0.65 CYP2D6 (0.42) L3MBTL1CYP2D6PTPRCMAPTMEN1
SCHEMBL30937559 0.65 PTPRC (0.41) L3MBTL1ALDH1A1LMNAPTPRC

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-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 L3MBTL1 1939/4885MBTD1 3402/4885L3MBTL3 2433/4885

“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.