SCHEMBL3227281

SCHEMBL3227281

CNC(O)COCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
APP P05067 2/20 0.33
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL28148988 0.96
SCHEMBL6040938 0.88 MEN1 (0.36) MEN1KMT2ATSHRTHRBHTT
SCHEMBL6040937 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL20323857 0.83 HSD17B10 (0.32) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL22296974 0.83 HSD17B10 (0.32) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL7808059 0.82 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3084586 0.82 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7809339 0.82 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7809336 0.82 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9799369 0.79 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB

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
CN-101522607-B Preparation method of polyether amine CLARIANT FINANCE BVI LTD 2014-03-12 CN disclosed
US-8071814-B2 Process for preparing polyetheramines CLARIANT FINANCE (BVI) LIMITED (VG) 2011-12-06 US disclosed
US-7696385-B2 Polyetheramine production method CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-04-13 US disclosed
US-20100069671-A1 Process For Preparing Polyetheramines CLARIANT FINANCE (BVI) LIMITED (VG) 2010-03-18 US disclosed
CN-101522607-A Preparation method of polyether amine CLARIANT INT LTD (VG) 2009-09-02 CN disclosed
US-20090177013-A1 Polyetheramine Production Method CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-07-09 US disclosed
CN-1732290-A Hydrophobic-hydrophilic compounds for the treatment of metal surfaces BASF AG (DE) 2006-02-08 CN 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-20090177013-A1 Polyetheramine Production Method PNMT, HRH3, HRH4 MEN1 396/4885KMT2A 277/4885TSHR 404/4885
US-20100069671-A1 Process For Preparing Polyetheramines OXER1, OXGR1, NR1H3 MEN1 2890/4885KMT2A 1555/4885TSHR 464/4885

“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.