SCHEMBL1831709

SCHEMBL1831709

C=C(COCCO)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.41
THRB P10828 1/20 0.40
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPK1 P28482 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL1831359 0.96 THRB (0.42) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL5595387 0.96 THRB (0.42) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL23894805 0.90 THRB (0.48) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL12297123 0.88 THRB (0.47) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL15382568 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL16654664 0.86 THRB (0.55) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL1831770 0.86 CYP4F2 (0.46) ALDH1A1TSHRTHRBGAAMAPT
SCHEMBL1520965 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTHRBHSD17B10GAA
Di(Hydroxyethyl)Ether SCHEMBL2799781 0.85 ALDH1A1 (0.43) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL6895196 0.84 THRB (0.53) ALDH1A1TSHRTHRBHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542779-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2021-12-01 EP disclosed
US-10980713-B2 Dental composition DENTSPLY SIRONA INC. (US) 2021-04-20 US disclosed
CN-112074263-A Dental composition 登士柏希罗纳有限公司 2020-12-11 CN disclosed
EP-3542779-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-09-25 EP disclosed
US-20190274930-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-09-12 US disclosed
WO-2019173656-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-09-12 WO disclosed
EP-2662729-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2013-11-13 EP disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
EP-1548021-B1 One-part self-etching, self-priming dental adhesive composition DENTSPLY DETREY GMBH (DE) 2007-03-21 EP disclosed
US-20060246017-A1 Polymerizable phosphoric acid ester derivative and a dental composition employing it DENTSPLY DE TREY GMBH (DE) 2006-11-02 US disclosed
EP-1601679-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DETREY GmbH (DE) 2005-12-07 EP disclosed
WO-2005063778-A1 ONE-PART SELF-ETCHING, SELF-PRIMING DENTAL ADHESIVE COMPOSITION DENTSPLY DETREY GMBH (DE) 2005-07-14 WO disclosed
WO-2004078100-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DE TREY GMBH (DE) 2004-09-16 WO disclosed
EP-1454911-A1 A polymerizable phosphoric acid ester derivative and a dental composition employing it DENTSPLY DETREY GmbH (DE) 2004-09-08 EP disclosed
EP-0738703-B1 Acrylic acid derivatives, method for preparing the acrylic acid derivatives, and acrylic acid polymers NIPPON CATALYTIC CHEM IND (JP) 2002-05-22 EP disclosed
US-5834576-A CROSSLINKING USING AN ACRYLIC ESTER CONTAINING ETHER GROUPS NIPPON SHOKUBAI CO., LTD. (JP) 1998-11-10 US disclosed
EP-0738703-A2 Acrylic acid derivatives, method for preparing the acrylic acid derivatives, and acrylic acid polymers NIPPON SHOKUBAI CO., LTD. (JP) 1996-10-23 EP 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 (4 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-20060246017-A1 Polymerizable phosphoric acid ester derivative and a dental composition employing it CBR1, HCAR1, OXSR1 ALDH1A1 2788/4885TSHR 2272/4885THRB 1723/4885
US-20190274930-A1 DENTAL COMPOSITION KATNAL2, PUF60, PGLS ALDH1A1 2727/4885TSHR 4820/4885THRB 4351/4885
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition CAD, ASIC1, PDAP1 ALDH1A1 1101/4885TSHR 4720/4885THRB 3469/4885
US-10980713-B2 Dental composition KATNAL2, PUF60, PGLS ALDH1A1 2727/4885TSHR 4820/4885THRB 4351/4885

“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.