SCHEMBL11920352

SCHEMBL11920352

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ PRKCA P17252 1/20 0.36
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL22417596 0.95 TSHR (0.40) TSHRPRKCA
SCHEMBL15894729 0.89 TSHR (0.44) TSHRPRKCATHRBALDH1A1
SCHEMBL14729534 0.86 TSHR (0.37) TSHRPRKCAALDH1A1
SCHEMBL11920346 0.85 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL18269754 0.85 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL18269755 0.85 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL12793095 0.85 TSHR (0.46) TSHRPRKCATHRBALDH1A1
SCHEMBL14729529 0.85 TSHR (0.36) TSHRPRKCA
SCHEMBL11920353 0.85 AR (0.41) PRKCATHRB
SCHEMBL11920355 0.84 TSHR (0.35) TSHRPRKCATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675422-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-30 — — EP disclosed
EP-2965742-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-09 — — EP disclosed
EP-2675783-B1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-04-22 — — EP disclosed
US-10370322-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-06 — — US disclosed
EP-3502092-A1 ADDITION-FRAGMENTATION AGENTS 3M Innovative Properties Company (US) 2019-06-26 — — EP disclosed
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-07-27 — — US disclosed
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-07-27 — — US disclosed
US-9403966-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-02 — — US disclosed
US-9403966-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-02 — — US disclosed
US-9320685-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-04-26 — — US disclosed
US-9320685-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-04-26 — — US disclosed
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-08-27 — — US disclosed
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-08-27 — — US disclosed
US-20150203658-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-07-23 — — US disclosed
US-20150203658-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-07-23 — — US disclosed
US-9056043-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-16 — — US disclosed
US-9056043-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-16 — — US disclosed
WO-2012112304-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-08-23 — — WO disclosed
US-20120208965-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2012-08-16 — — US disclosed
US-20120208965-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2012-08-16 — — 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 (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-10370322-B2 Addition-fragmentation agents NR4A1, PARP14, MTX1 TSHR 1778/4885PRKCA 4445/4885THRB 2735/4885
US-20120208965-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 TSHR 1778/4885PRKCA 4445/4885THRB 2735/4885
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 TSHR 1778/4885PRKCA 4445/4885THRB 2735/4885
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT NR4A1, RXRG, RXRA TSHR 3478/4885PRKCA 3011/4885THRB 3656/4885

“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.

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