SCHEMBL4381504

SCHEMBL4381504

CC(=O)OCCOCCOCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 3/20 0.60
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
GALR3 O60755 2/20 0.41
GAA P10253 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
SCHEMBL22276519 1.00 ALDH1A1 (0.60) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL5317764 1.00 ALDH1A1 (0.60) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL151434 1.00 ALDH1A1 (0.60) ALDH1A1TSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7387030 0.98 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8862661 0.87 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL1121858 0.87 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL853024 0.87 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8862742 0.87 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4394240 0.87 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL833988 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed
EP-2119455-A1 Tripartite raftophilic structures and their use Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-11-18 EP disclosed
EP-1732612-B1 TRIPARTITE CONJUGATES CONTAINING A STRUCTURE INTERACTING WITH CELL MEMBRANE RAFTS AND THEIR USE JADO TECHNOLOGIES GMBH (DE) 2009-09-16 EP disclosed
US-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 US disclosed
EP-1732612-A1 TRIPARTITE CONJUGATES CONTAINING A STRUCTURE INTERACTING WITH CELL MEMBRANE RAFTS AND THEIR USE Jadolabs Gmbh (DE) 2006-12-20 EP disclosed
EP-1450774-A4 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARM INC (US) 2005-10-26 EP disclosed
WO-2005097199-A1 TRIPARTITE CONJUGATES CONTAINING A STRUCTURE INTERACTING WITH CELL MEMBRANE RAFTS AND THEIR USE JADOLABS GMBH (DE) 2005-10-20 WO disclosed
US-20050020559-A1 Chlorin photosensitizing agents for use in photodynamic therapy MIRAVANT PHARMACEUTICALS, INC., 2005-01-27 US disclosed
EP-1450774-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY Miravant Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003028629-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2003-04-10 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 (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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 ALDH1A1 245/4885TSHR 2776/4885CHRM5 2350/4885
US-20050020559-A1 Chlorin photosensitizing agents for use in photodynamic therapy VHL, CRY1, PHLPP1 ALDH1A1 1192/4885TSHR 3568/4885CHRM5 4587/4885

“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.