SCHEMBL6009538

SCHEMBL6009538

CC(C)C(C(=O)O)N(CC(O)CO)CC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.34
TP53 P04637 1/20 0.33
ADAMTS4 O75173 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GABRR1 P24046 2/20 0.30

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
SCHEMBL6009521 1.00 OR51E2 (0.34) OR51E2TP53ADAMTS4ALDH1A1LMNA
SCHEMBL8950932 0.98 OR51E2 (0.33) OR51E2TP53ADAMTS4
SCHEMBL8950938 0.98 OR51E2 (0.33) OR51E2TP53ADAMTS4
SCHEMBL8950933 0.98 OR51E2 (0.33) OR51E2TP53ADAMTS4
Tetramethylammonium Ion SCHEMBL8950925 0.94 OR51E2 (0.31) OR51E2TP53
Guanidine SCHEMBL8950957 0.91
Tetrylammonium SCHEMBL8950924 0.90
SCHEMBL6009525 0.88 OR51E2 (0.34) OR51E2TP53ALDH1A1LMNA
SCHEMBL6009543 0.88 OR51E2 (0.34) OR51E2TP53ALDH1A1LMNA
Tetrabuthylammonium SCHEMBL8950922 0.84 SLC22A1 (0.34) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US claimed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP claimed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US claimed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO claimed
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 EP disclosed
US-5585391-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-12-17 US disclosed
US-5574050-A Hydroxyl ions as unique therapeutic agents and processes for preparing them FHJ SCIENTIFIC, INC. (US) 1996-11-12 US disclosed
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 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-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA OR51E2 2335/4885TP53 1525/4885ADAMTS4 4579/4885

“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.