SCHEMBL3678045

SCHEMBL3678045

O=C(OCC1OCCCS1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPM1B O75688 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1087816 0.93 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL1087819 0.93 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL1088261 0.93 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL23394177 0.78 HPGD (0.57) HPGDPOLBLMNA
SCHEMBL26025586 0.78 HPGD (0.57) HPGDPOLBLMNA
SCHEMBL3598235 0.78 HPGD (0.57) HPGDPOLBLMNA
SCHEMBL18280147 0.77 MGLL (0.58)
SCHEMBL172378 0.76 TDP1 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL19841763 0.75 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL19841645 0.75 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728152-B2 Process for producing 2-benzoyloxyacetaldehyde derivative DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
US-7692033-B2 Process for producing 2-benzoyloxyacetaldehyde derivative DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-06 US disclosed
US-20090192321-A1 PROCESS FOR PRODUCING 2-BENZOYLOXYACETALDEHYDE DERIVATIVE NISHIKAWA KAZUYOSHI 2009-07-30 US disclosed
US-20050234246-A1 Process for producing 2-benzoyloxyacetaldehyde derivative DAICEL CHEMICAL INDUSTRIES, LTD. 2005-10-20 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 (2 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-20050234246-A1 Process for producing 2-benzoyloxyacetaldehyde derivative ALDH1A1, ALDH2, CBR1 CHRNB2 3389/4885CHRNA5 4010/4885CHRNA7 4281/4885
US-20090192321-A1 PROCESS FOR PRODUCING 2-BENZOYLOXYACETALDEHYDE DERIVATIVE ALDH1A1, ALDH2, CBR1 CHRNB2 3389/4885CHRNA5 4010/4885CHRNA7 4281/4885

“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.