SCHEMBL4464394

SCHEMBL4464394

C=CC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.53
THRB P10828 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCA P17252 1/20 0.34

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
SCHEMBL700973 0.97 TSHR (0.50) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL10798610 0.94 TSHR (0.47) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL282920 0.92 TSHR (0.49) TSHRPRKCA
SCHEMBL8853542 0.90 TSHR (0.47) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL176350 0.90 TSHR (0.50) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL28027569 0.89 TSHR (0.46) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL18567468 0.88 TSHR (0.49) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL28745471 0.88 TSHR (0.45) TSHRTHRBALDH1A1HPGDPRKCA
SCHEMBL20148972 0.87 TSHR (0.41) TSHRALDH1A1PRKCA
SCHEMBL15397841 0.86 TSHR (0.44) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102225945-B A kind of (methyl) vinylformic acid esterification oxazole heterocyclic boronic acids ester and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2015-08-19 CN claimed
EP-3328871-B1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR KULZER & CO GMBH (DE) 2019-07-10 EP disclosed
US-20190010174-A1 Crosslinking Monomers With at Least One Sulfur Atom KULZER GMBH (DE) 2019-01-10 US disclosed
EP-3328871-A1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR Kulzer GmbH (DE) 2018-06-06 EP disclosed
WO-2017021297-A1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR HERAEUS KULZER GMBH (DE) 2017-02-09 WO disclosed
WO-2017021297-A1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR HERAEUS KULZER GMBH (DE) 2017-02-09 WO disclosed
EP-1510197-B1 Dental coating material IVOCLAR VIVADENT AG (LI) 2016-03-09 EP disclosed
CN-102225945-B A kind of (methyl) vinylformic acid esterification oxazole heterocyclic boronic acids ester and its preparation method and application SUN YAT-SEN UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-102667531-B Black curable composition for wafer level lens and wafer level lens FUJIFILM CORP 2015-03-04 CN disclosed
CN-102667531-A Black curable composition for wafer level lens and wafer level lens FUJIFILM CORP 2012-09-12 CN disclosed
US-7932414-B2 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2011-04-26 US disclosed
US-7495037-B2 Dental coating materials IVOCLAR VIVADENT AG (LI) 2009-02-24 US disclosed
US-20070135572-A1 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. 2007-06-14 US disclosed
US-20050165129-A1 Dental coating materials IVOCLAR VIVADENT AG (LI) 2005-07-28 US disclosed
EP-1510197-A1 Dental coating material Firma Ivoclar Vivadent AG (LI) 2005-03-02 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 (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-20190010174-A1 Crosslinking Monomers With at Least One Sulfur Atom H1-3, H1-0, H1-4 TSHR 1392/4885THRB 2141/4885ALDH1A1 2069/4885
US-20050165129-A1 Dental coating materials PHOSPHO1, SPTAN1, ITGA1 TSHR 4370/4885THRB 3247/4885ALDH1A1 2568/4885

“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.