SCHEMBL2583075

SCHEMBL2583075

CCCCCCCCCCCCCCOC(N)(N)CCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
FDPS P14324 2/20 0.41
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
DNM1 Q05193 1/20 0.38
THRB P10828 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL2587271 1.00 SMPD1 (0.41) SMPD1FDPSCA1CA2CA9
SCHEMBL2587280 1.00 SMPD1 (0.41) SMPD1FDPSCA1CA2CA9
SCHEMBL2577447 1.00 SMPD1 (0.41) SMPD1FDPSCA1CA2CA9
SCHEMBL10620537 1.00 SMPD1 (0.41) SMPD1FDPSCA1CA2CA9
SCHEMBL2574889 1.00 SMPD1 (0.41) SMPD1FDPSCA1CA2CA9
SCHEMBL5403778 0.93 CA1 (0.37) SMPD1FDPSCA1CA2CA9
Acetic Acid SCHEMBL9751129 0.89 CES2 (0.43) SMPD1FDPSTSHR
SCHEMBL6610038 0.81 CA1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL11784627 0.80 MEN1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL14902960 0.79 THRB (0.38) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049039-B2 Process for preparation of alkoxylated alkylamines/alkyl ether amines with peaked distribution AKZO NOBEL N.V. (NL) 2011-11-01 US claimed
US-20090209788-A1 PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES/ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION AKZO NOBEL N.V. (NL) 2009-08-20 US claimed
CN-101479232-A Process for preparation of alkoxylated alkylamines / alkyl ether amines with peaked distribution AKZO NOBEL NV (NL) 2009-07-08 CN claimed
EP-2032523-A1 PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION Akzo Nobel N.V. (NL) 2009-03-11 EP claimed
WO-2007147866-A1 PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION AKZO NOBEL N.V. (NL) 2007-12-27 WO claimed
EP-1793667-A1 ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION Akzo Nobel N.V. (NL) 2007-06-13 EP claimed
WO-2006034459-A1 ALKOXYLATED ALKYLAMINES / ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION AKZO NOBEL N.V. (NL) 2006-03-30 WO claimed

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-20090209788-A1 PROCESS FOR PREPARATION OF ALKOXYLATED ALKYLAMINES/ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION ALKBH3, ALKBH2, ALKBH5 SMPD1 1762/4885FDPS 3512/4885CA1 4798/4885

“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.