SCHEMBL857663

SCHEMBL857663

CCOC(=O)C1CC(C)(C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HIF1A Q16665 1/20 0.47
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.42
TLR4 O00206 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL855129 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL1338366 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL2076717 0.82 TP53 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL21618277 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL1958200 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL14033344 0.80 TLR4 (0.44) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL10891858 0.80 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11956606 0.79 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL10886685 0.79 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10886851 0.79 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265065-A1 SELECTIVE PHOSPHATASE INHIBITORS BASED ON ILLUDALIC ACID THE WEST VIRGINIA UNIVERSITY BOARD OF GOVERNORS ON BEHALF OF WEST VIRGINIA UNIVERSITY 2023-08-24 US disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2013070659-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2013-05-16 WO disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-4007207-A HYPOTENSIVE, ANTIDEPRESSANT, ANALGESIC, ANTICONVULSANT, SEDATIVE, TRANQUILIZER SHARPS ASSOCIATES (US) 1977-02-08 US disclosed
US-3992550-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS, ANTIHYPERTENSIVE AGENTS SHARPS ASSOCIATES (US) 1976-11-16 US disclosed
US-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 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 (4 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3395/4885MAPT 1278/4885KDM4E 610/4885
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 ALDH1A1 3567/4885MAPT 3301/4885KDM4E 3165/4885
US-20230265065-A1 SELECTIVE PHOSPHATASE INHIBITORS BASED ON ILLUDALIC ACID PTPRA, PTPRR, PTPRC ALDH1A1 1539/4885MAPT 3505/4885KDM4E 555/4885
US-20140288050-A1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF OPRM1, OPRK1, OPRL1 ALDH1A1 1393/4885MAPT 727/4885KDM4E 3046/4885

“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.