SCHEMBL14729529

SCHEMBL14729529

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(=O)O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ HCAR2 Q8TDS4 4/20 0.34
▸ PRKCA P17252 1/20 0.31

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
SCHEMBL11920352 0.85 TSHR (0.44) TSHRPRKCA
SCHEMBL890588 0.85 TSHR (0.49) TSHRHCAR2
SCHEMBL22417596 0.81 TSHR (0.40) TSHRPRKCA
SCHEMBL14729534 0.80 TSHR (0.37) TSHRPRKCA
SCHEMBL15894729 0.80 TSHR (0.44) TSHRPRKCA
SCHEMBL10168267 0.79 TSHR (0.45) TSHRHCAR2
SCHEMBL29394650 0.79 TSHR (0.45) TSHRHCAR2
SCHEMBL15894727 0.79 TSHR (0.45) TSHRHCAR2
SCHEMBL15894733 0.78 ALDH1A1 (0.36) TSHRPRKCA
SCHEMBL18269755 0.77 TSHR (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2747737-B1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2019-09-25 — — EP disclosed
US-9907733-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-06 — — US disclosed
US-9907733-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-06 — — US disclosed
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-14 — — US disclosed
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-14 — — US disclosed
US-8980969-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-17 — — US disclosed
US-8980969-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-17 — — US disclosed
US-20140206788-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-24 — — US disclosed
US-20140206788-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-24 — — US disclosed
WO-2013028397-A2 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-28 — — WO disclosed
WO-2013028401-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-28 — — WO 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 (1 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-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS RAD51, TUBA8, ERCC4 TSHR 4850/4885HCAR2 3987/4885PRKCA 3538/4885

“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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