SCHEMBL6897847

SCHEMBL6897847

CC(C)COC(=O)N(C)CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
TSHR P16473 1/20 0.43
ABCB1 P08183 1/20 0.43
SLC15A1 P46059 1/20 0.42
ELANE P08246 1/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CDC25B P30305 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6900506 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL9354266 0.83 ABCB1 (0.44) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL25252134 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL2182699 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL389298 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1TSHRABCB1
SCHEMBL28627064 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL6923340 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL2221455 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL9998357 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL23748824 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084848-A2 PRODRUGS OF HETERAROMATIC COMPOUNDS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084851-A1 ASENAPINE PRODURUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 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 (6 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 ALDH1A1 74/4885MAPK1 3271/4885L3MBTL1 3274/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ALDH1A1 432/4885MAPK1 3253/4885L3MBTL1 1949/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885MAPK1 2549/4885L3MBTL1 3479/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885MAPK1 3028/4885L3MBTL1 2682/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885MAPK1 4831/4885L3MBTL1 2129/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885MAPK1 4831/4885L3MBTL1 2129/4885

“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.