SCHEMBL47371

SCHEMBL47371

C=C(C)C(=O)OCCOC(=O)CCn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.50
TBXAS1 P24557 17/20 0.46
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL1071597 0.87 TBXAS1 (0.50) EGLN3TBXAS1ALDH1A1MEN1LMNA
SCHEMBL45907 0.86 EGLN3 (0.44) EGLN3TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL14331530 0.85 TLR2 (0.40) EGLN3TBXAS1ALDH1A1
SCHEMBL10015764 0.84 TBXAS1 (0.51) EGLN3TBXAS1MEN1KMT2A
SCHEMBL47755 0.84 EGLN3 (0.57) EGLN3TBXAS1ALDH1A1MEN1LMNA
SCHEMBL2600106 0.84 SMN1; SMN2 (0.48) ALDH1A1MEN1LMNAKMT2A
SCHEMBL21386031 0.83 TLR2 (0.39) EGLN3TBXAS1ALDH1A1
Bromide SCHEMBL16102048 0.83 TBXAS1 (0.50) EGLN3TBXAS1MEN1KMT2A
SCHEMBL10015771 0.83 TBXAS1 (0.54) TBXAS1MEN1LMNAKMT2A
SCHEMBL24403618 0.82 EGLN3 (0.37) EGLN3TBXAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723301-B1 POLYMERIZABLE ANTIBACTERIAL/ANTIMICROBIAL RESINS AND USE IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-03-04 EP disclosed
US-RE47512-E1 Imidazole and imidazolium resins and methods for preparing curable imidazolium antimicrobial resins DENTSPLY SIRONA INC. (US) 2019-07-16 US disclosed
US-20170143594-A1 ORTHODONTIC CEMENT COMPOSITIONS AND METHODS OF USE THEREOF DENTSPLY SIRONA INC (US) 2017-05-25 US disclosed
US-20170143594-A1 ORTHODONTIC CEMENT COMPOSITIONS AND METHODS OF USE THEREOF DENTSPLY SIRONA INC (US) 2017-05-25 US disclosed
EP-2571908-B1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-04-26 EP disclosed
EP-2571909-B1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES CO (US) 2016-10-05 EP disclosed
US-8779024-B2 Acid-neutralizing resins and hardenable dental compositions thereof DENTSPLY INTERNATIONAL INC. (US) 2014-07-15 US disclosed
US-8747831-B2 Method and antibacterial/antimicrobial compositions in dental compositions DENTSPLY INTERNATIONAL INC. (US) 2014-06-10 US disclosed
US-8552130-B2 Polymerizable ionic liquid comprising aromatic carboxylate anion 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
US-8552130-B2 Polymerizable ionic liquid comprising aromatic carboxylate anion 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
US-20130225716-A1 Acid-neutralizing Resins and Hardenable Dental Compositions Thereof DENTSPLY INTERNATIONAL INC. (US) 2013-08-29 US disclosed
US-20130059975-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2013-03-07 US disclosed
US-20130059975-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2013-03-07 US disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20120328553-A1 METHOD AND ANTIBACTERIAL/ANTIMICROBIAL COMPOSITIONS IN DENTAL COMPOSITIONS DENTSPLY INTERNATIONAL INC. (US) 2012-12-27 US disclosed
WO-2011146326-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed
WO-2011146356-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US 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-20170143594-A1 ORTHODONTIC CEMENT COMPOSITIONS AND METHODS OF USE THEREOF PCNA, DOCK5, BMI1 EGLN3 3539/4885TBXAS1 4780/4885ALDH1A1 4564/4885
US-20130225716-A1 Acid-neutralizing Resins and Hardenable Dental Compositions Thereof ASIC1, ASIC3, ARCN1 EGLN3 1028/4885TBXAS1 2186/4885ALDH1A1 2473/4885

“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.