SCHEMBL11920353

SCHEMBL11920353

C=C(C)C(=O)OC(COC(=O)C(=C)CC(C)(C)C(=O)OCC(COc1ccccc1)OC(=O)C(=C)C)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PRKCA P17252 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL22475351 0.96 AR (0.39) ARMTNR1AMTNR1BCYP2D6POLB
SCHEMBL22475354 0.93 AR (0.38) ARMTNR1AMTNR1BCYP2D6POLB
SCHEMBL22475348 0.92 AR (0.36) ARMTNR1AMTNR1BCYP2D6POLB
SCHEMBL22417598 0.92 AR (0.36) ARMTNR1AMTNR1BCYP2D6POLB
SCHEMBL21162913 0.92 AR (0.36) ARMTNR1AMTNR1BCYP2D6POLB
SCHEMBL11920351 0.87 MTNR1A (0.36) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL11920352 0.85 TSHR (0.44) PRKCATHRB
SCHEMBL6880397 0.85 MTNR1A (0.46) ARMTNR1AMTNR1BPOLBMAPT
SCHEMBL11920350 0.84 CYP2D6 (0.46) CYP2D6POLBMAPTLMNAMEN1
SCHEMBL21163118 0.84 MTNR1A (0.34) MTNR1AMTNR1BCYP2D6

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 AR 578/4885MTNR1A 77/4885MTNR1B 83/4885
US-20120208965-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 AR 578/4885MTNR1A 77/4885MTNR1B 83/4885
US-20170210693-A1 ADDITION-FRAGMENTATION AGENTS NR4A1, PARP14, MTX1 AR 578/4885MTNR1A 77/4885MTNR1B 83/4885
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT NR4A1, RXRG, RXRA AR 1478/4885MTNR1A 467/4885MTNR1B 801/4885

“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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