SCHEMBL755537

SCHEMBL755537

CC(C)(C)C1CCC(=NO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL13656499 0.86 TSHR (0.40) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL26115241 0.79 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL10236415 0.78 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6922760 0.76 TSHR (0.40) TSHRCASP1ESR2CHRNA7
SCHEMBL29177268 0.75 TSHR (0.32) ALDH1A1RAB9ATSHRCASP1
SCHEMBL14572069 0.73 MEN1 (0.46) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16095310 0.72 ALDH1A1 (0.38) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2041552 0.72
SCHEMBL13656503 0.71 TSHR (0.50) GAATSHRCASP1ESR2CHRNA7
SCHEMBL5670762 0.69 LMNA (0.37) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574079-A 2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
WO-2003099757-A1 STABILISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS COMPRISING HYDROXYLAMINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-12-04 WO claimed
CN-112574079-A 2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof 湖南工程学院 2021-03-30 CN disclosed
EP-2669342-B1 ACTIVE-ENERGY-RAY-CURABLE INKJET INK COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE INKJET INK, AND INKJET RECORDING METHOD KONICA MINOLTA INC (JP) 2020-03-18 EP disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-9416289-B2 Active-energy-ray-curable inkjet ink composition, active-energy-ray-curable inkjet ink, and inkjet recording method Konica Minolta, Inc. (JP) 2016-08-16 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 WO disclosed
WO-2007063031-A2 STABILIZED POLYMERIZABLE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 WO disclosed
US-20060287548-A1 Radical interceptors as stabilizers of polymerizable compounds BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 US disclosed
EP-1670877-A1 RADICAL INTERCEPTORS AS STABILIZERS OF POLYMERIZABLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
US-20050256185-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2005-11-17 US disclosed
WO-2005030907-A1 RADICAL INTERCEPTORS AS STABILIZERS OF POLYMERIZABLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-04-07 WO disclosed
EP-1518916-A1 Scavenger of free radicals as stabilizers of polymerisable compounds BASF AKTIENGESELLSCHAFT (DE) 2005-03-30 EP disclosed
WO-2003099757-A1 STABILISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS COMPRISING HYDROXYLAMINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-12-04 WO disclosed
WO-2003035596-A2 INHIBITOR MIXTURE FOR (METH)ACRYLIC ACID AND (METH)ACRYLIC ACID ESTER BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 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 (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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 ALDH1A1 501/4885RAB9A 4638/4885SMN1; SMN2 1039/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 ALDH1A1 523/4885RAB9A 4717/4885SMN1; SMN2 1006/4885
US-20060287548-A1 Radical interceptors as stabilizers of polymerizable compounds TTPA, AADAT, TSPO ALDH1A1 1648/4885RAB9A 3837/4885SMN1; SMN2 3250/4885
US-20050256185-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE ALDH1A1 212/4885RAB9A 573/4885SMN1; SMN2 2959/4885

“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.