SCHEMBL6468981

SCHEMBL6468981

CCCCOC(=O)Cl.COC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.45
ACHE P22303 7/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
CASP1 P29466 1/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 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
SCHEMBL2560 0.93
SCHEMBL7729481 0.86 NAAA (0.59) ALDH1A1ATMTSHREPHX1ACHE
Chloroform SCHEMBL28557988 0.86 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDEPHX1
SCHEMBL97024 0.86
SCHEMBL6740298 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL1206999 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL5836729 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL6739583 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL323128 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL7129437 0.84 NAAA (0.61) ALDH1A1TSHREPHX1ACHEHCAR2

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
EP-1606326-A2 NOVEL PHOTOSENSITIVE RESIN COMPOSITIONS FujiFilm Electronic Materials USA, Inc. (US) 2005-12-21 EP disclosed
WO-2004081057-A2 NOVEL PHOTOSENSITIVE RESIN COMPOSITIONS ARCH SPECIALTY CHEMICALS, INC. (US) 2004-09-23 WO disclosed
US-20040054230-A1 Synthesis of n,n-dimethyl-3-(4-methyl) benzoyl propionamide a key intermediate of zolpidem RANBAXY LABORATORIES LIMITED (IN) 2004-03-18 US disclosed
EP-1370515-A2 SYNTHESIS OF N,N-DIMETHYL-3-(4-METHYL) BENZOYL PROPIONAMIDE, A KEY INTERMEDIATE OF ZOLPIDEM RANBAXY LABORATORIES, LTD. (IN) 2003-12-17 EP disclosed
WO-2002018303-A2 SYNTHESIS OF N,N-DIMETHYL-3-(4-METHYL) BENZOYL PROPIONAMIDE, A KEY INTERMEDIATE OF ZOLPIDEM RANBAXY LABORATORIES LIMITED (IN) 2002-03-07 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-20040054230-A1 Synthesis of n,n-dimethyl-3-(4-methyl) benzoyl propionamide a key intermediate of zolpidem GABRA4, GABRA3, GABRA6 ALDH1A1 3046/4885ATM 4803/4885TSHR 433/4885

“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.