SCHEMBL14729534

SCHEMBL14729534

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ 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
SCHEMBL15894733 0.93 ALDH1A1 (0.36) TSHRALDH1A1LMNAPRKCA
SCHEMBL14666170 0.88 TSHR (0.39) TSHRALDH1A1LMNAPRKCA
SCHEMBL11920352 0.86 TSHR (0.44) TSHRALDH1A1PRKCA
SCHEMBL15894728 0.85 ALDH1A1 (0.41) ALDH1A1LMNAPRKCA
SCHEMBL890783 0.84 TSHR (0.50) TSHRALDH1A1LMNAPRKCA
SCHEMBL18030871 0.82 TSHR (0.31) TSHRALDH1A1LMNA
SCHEMBL22417596 0.81 TSHR (0.40) TSHRPRKCA
SCHEMBL19865461 0.81 TSHR (0.35) TSHR
SCHEMBL15894729 0.81 TSHR (0.44) TSHRALDH1A1PRKCA
SCHEMBL14729529 0.80 TSHR (0.36) TSHRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2022-02-03 — — US 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
EP-2748206-B1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2015-09-16 — — EP 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 (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-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS PARP1, ETFA, PARP2 TSHR 3927/4885ALDH1A1 732/4885LMNA 33/4885
US-20160008234-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS RAD51, TUBA8, ERCC4 TSHR 4850/4885ALDH1A1 2749/4885LMNA 193/4885

“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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