SCHEMBL136665

SCHEMBL136665

C=CC(=O)CC[N+](C)(C)CCOP(=O)([O-])OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.34
AKT1 P31749 2/20 0.34
ESR1 P03372 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CDC25A P30304 1/20 0.34
AGTR1 P30556 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
BBOX1 O75936 1/20 0.33
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 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
SCHEMBL28330673 0.74 LPAR3 (0.42) BBOX1
SCHEMBL17474432 0.73 BBOX1 (0.31) BBOX1
SCHEMBL19689041 0.70 LMNA (0.59) SMN1; SMN2LMNAAKT1ESR1ADORA3
SCHEMBL29270413 0.69 TSHR (0.44) LMNABBOX1ALDH1A1MEN1KMT2A
SCHEMBL133757 0.68 BBOX1 (0.40) BBOX1ALDH1A1
Ethylene Glycol SCHEMBL2050406 0.67 SMN1; SMN2 (0.48) SMN1; SMN2LMNAAKT1ESR1ADORA3
SCHEMBL2118106 0.67 SMN1; SMN2 (0.48) SMN1; SMN2LMNAAKT1ESR1ADORA3
Iodide SCHEMBL4247915 0.66 BBOX1 (0.48) BBOX1ALDH1A1KMT2A
SCHEMBL9408649 0.65 HTT (0.50) BBOX1ALDH1A1KMT2A
SCHEMBL2118813 0.65 LMNA (0.53) SMN1; SMN2LMNAAKT1ESR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008538-B2 Reduced misting alkaline and neutral cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2021-05-18 US claimed
US-20210079143-A1 STRENGTHENING RESINS AND PROCESSES FOR MAKING AND USING SAME ECOLAB USA INC. (US) 2021-03-18 US claimed
US-20190330573-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSTIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS ECOLAB USA INC. 2019-10-31 US claimed
US-10392587-B2 Reduced misting alkaline and neutral cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2019-08-27 US claimed
US-10370626-B2 Reduced misting acidic cleaning, sanitizing, and disinfecting compositions via the use of high molecular weight water-in-oil emulsion polymers ECOLAB USA INC. (US) 2019-08-06 US claimed
EP-3464541-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSITIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS Ecolab USA Inc. (US) 2019-04-10 EP claimed
EP-3464542-A1 REDUCED MISTING ACIDIC CLEANING, SANITIZING, AND DISINFECTING COMPOSITIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS Ecolab USA Inc. (US) 2019-04-10 EP claimed
US-10087082-B2 Stabilized silica colloid FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-10-02 US claimed
US-20180099072-A1 INJECTABLE TISSUE SUPPLEMENT TRUSTEES OF BOSTON UNIVERSITY (US) 2018-04-12 US claimed
WO-2017205334-A1 REDUCED MISTING ALKALINE AND NEUTRAL CLEANING, SANITIZING, AND DISINFECTING COMPOSITIONS VIA THE USE OF HIGH MOLECULAR WEIGHT WATER-IN-OIL EMULSION POLYMERS ECOLAB USA INC. (US) 2017-11-30 WO claimed
EP-1439962-A2 INK JET RECORDING MEDIUM Ciba SC Holding AG (CH) 2004-07-28 EP claimed
US-6709551-B2 FOR PAPERMAKING; ADJUSTMENT OF CONFINING, DRAINAGE OF FIBROUS SUSPENSION ONDEO NALCO COMPANY 2004-03-23 US claimed
US-20030155091-A1 High molecular weight cationic and anionic polymers comprising zwitterionic monomers ECOLAB USA INC. 2003-08-21 US claimed
US-6590051-B1 Polyampholytes used to increase retention and drainage in fiber suspensions or pulps used in papermaking; clarification ONDEO NALCO COMPANY 2003-07-08 US claimed
WO-2003054030-A2 POLY(VINYLALCOHOL)-CO-POLY(VINYLAMINE) POLYMERS COMPRISING FUNCTIOAL MOIETIES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-03 WO claimed
WO-2003037641-A2 INK JET RECORDING MEDIUM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO claimed
JP-2003504476-A 2003-02-04 JP claimed
EP-1198503-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2002-04-24 EP claimed
US-6313246-B1 UNSATURATED QUATERNARY AMMONIUM OR SULFONIUM SALT AND NONIONIC MONOMERS ; WATER IN OIL EMULSION, DISPERSION OR GEL; PAPERMAKING NALCO CHEMICAL COMPANY 2001-11-06 US claimed
WO-2001004201-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2001-01-18 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-20180099072-A1 INJECTABLE TISSUE SUPPLEMENT MMP1, COL1A1, MYOC SMN1; SMN2 1501/4885LMNA 2439/4885AKT1 4423/4885

“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.