SCHEMBL45907

SCHEMBL45907

C=C(C)C(=O)OCC(O)COC(=O)CCn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
TBXAS1 P24557 11/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
TLR2 O60603 1/20 0.37

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
SCHEMBL47371 0.86 EGLN3 (0.50) EGLN3TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL14331530 0.84 TLR2 (0.40) EGLN3TBXAS1ALDH1A1TSHRTLR2
SCHEMBL24403618 0.84 EGLN3 (0.37) EGLN3TBXAS1ALDH1A1TLR2
SCHEMBL14331556 0.83 TLR2 (0.41) EGLN3TBXAS1ALDH1A1TSHRTLR2
SCHEMBL774881 0.83 RAB9A (0.53) RAB9AMEN1KMT2ATSHR
SCHEMBL14331565 0.82 TLR2 (0.40) EGLN3TBXAS1ALDH1A1TSHRTLR2
SCHEMBL21164179 0.82 TLR2 (0.38) EGLN3TBXAS1ALDH1A1TLR2
SCHEMBL15223333 0.82 TLR2 (0.38) EGLN3TBXAS1ALDH1A1TLR2
SCHEMBL14331531 0.81 TLR2 (0.43) EGLN3TBXAS1ALDH1A1TLR2
SCHEMBL5707877 0.80 EGLN3 (0.53) EGLN3TBXAS1ALDH1A1TLR2

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 14 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
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-20130225716-A1 Acid-neutralizing Resins and Hardenable Dental Compositions Thereof DENTSPLY INTERNATIONAL INC. (US) 2013-08-29 US disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 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
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US 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.