SCHEMBL233619

SCHEMBL233619

CC(C(=O)O)N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.33
SMPD2 O60906 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL186682 1.00 TP53 (0.35) TP53MAPTSMPD2CHRNB2CHRNB4
SCHEMBL15050275 0.98 TP53 (0.33) TP53MAPTSMPD2CHRNB2CHRNB4
SCHEMBL15050278 0.98 TP53 (0.33) TP53MAPTSMPD2CHRNB2CHRNB4
SCHEMBL27277859 0.89 HTR2A (0.40) TP53SMPD2CHRNB2CHRNB4CHRNA3
SCHEMBL7612000 0.87 TDP1 (0.36) ADRA2ACYP1A2ALDH1A1
SCHEMBL10982870 0.84 ACE2 (0.41) MAPTMEN1KMT2AALDH1A1
SCHEMBL17685567 0.80 SMPD2 (0.38) SMPD2
SCHEMBL755798 0.80 FDPS (0.43) TP53SMPD2PGRADRA2AADRA2B
SCHEMBL9021302 0.80 TP53 (0.35) TP53MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL2204496 0.80 FDPS (0.43) TP53SMPD2PGRADRA2AADRA2B

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118439965-A Method for synthesizing amino alcohol by using diethanolamine 济宁无内新材料技术研发中心(有限合伙) 2024-08-06 CN claimed
WO-2013092579-A2 METHOD FOR PRODUCING ONE OR MORE COMPLEXING AGENTS, SELECTED FROM METHYLGLYCINEDIACETIC ACID, GLUTAMIC ACID DIACETIC ACID, AND SALTS THEREOF BASF SE (DE) 2013-06-27 WO claimed
US-20130165689-A1 PROCESS FOR PREPARING ONE OR MORE COMPLEXING AGENTS SELECTED FROM METHYLGLYCINEDIACETIC ACID, GLUTAMIC ACID DIACETIC ACID AND SALTS THEREOF BASF SE (DE) 2013-06-27 US claimed
JP-4537580-B2 2010-09-01 JP claimed
EP-1114023-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2004-05-26 EP claimed
JP-2002524548-A 2002-08-06 JP claimed
US-20010008948-A1 Process for preparing carboxylic acids RINGER JAMES W (US) 2001-07-19 US claimed
EP-1114023-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS Dow AgroSciences LLC (US) 2001-07-11 EP claimed
US-6229045-B1 CARBOXYLATION OF PRIMARY ALIPHATIC ALCOHOLS IN ALKALINE SOLUTION VIA CONTACTING WITH A CATALYST COMPRISING COBALT, COPPER, CERIUM, IRON, ZINC, AND/OR ZIRCONIUM DOW AGROSCIENCES LLC 2001-05-08 US claimed
WO-2000015601-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2000-03-23 WO claimed
US-4143159-A SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-03-06 US claimed
EP-4743520-A1 SEALING COMPOSITION BASED ON POLYURETHANE AND POLY(VINYL ACETAL) Saint-Gobain Weber France (FR) 2026-05-20 EP disclosed
WO-2025012260-A1 SEALING COMPOSITION BASED ON POLYURETHANE AND POLY(VINYL ACETAL) SAINT-GOBAIN WEBER FRANCE (FR) 2025-01-16 WO disclosed
WO-2024226422-A1 HELICASE DEGRADERS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-10-31 WO disclosed
CN-118439965-A Method for synthesizing amino alcohol by using diethanolamine 济宁无内新材料技术研发中心(有限合伙) 2024-08-06 CN 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 (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-20130165689-A1 PROCESS FOR PREPARING ONE OR MORE COMPLEXING AGENTS SELECTED FROM METHYLGLYCINEDIACETIC ACID, GLUTAMIC ACID DIACETIC ACID AND SALTS THEREOF GRIK1, DDC, CA1 TP53 3733/4885MAPT 2792/4885SMPD2 4327/4885
US-20010008948-A1 Process for preparing carboxylic acids ADH1A, ADH1C, ADH5 TP53 2424/4885MAPT 3871/4885SMPD2 1176/4885

“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.