SCHEMBL2719349

SCHEMBL2719349

C=C(C)C(=O)OCCNC(=O)OC(COCCOc1ccc(OCCOCC(COc2ccccc2)OC(=O)NCCOC(=O)C(=C)C)cc1)COC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL2721446 0.98 MTNR1A (0.43) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2720466 0.95 KDM4E (0.40) MTNR1AMTNR1B
SCHEMBL10072544 0.94 POLB (0.45) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2718289 0.94 POLB (0.44) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2720447 0.93 KDM4E (0.41) MTNR1AMTNR1B
SCHEMBL17213612 0.93 MTNR1A (0.45) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2720965 0.93 POLB (0.48) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2719424 0.92 POLB (0.47) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2716632 0.90 POLB (0.50) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL15689940 0.90 POLB (0.46) POLBAPEX1HTTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 — — US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 — — US disclosed
WO-2012003136-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 — — WO disclosed
EP-2401998-A1 Dental composition, kit of parts and use thereof 3M Innovative Properties Company (US) 2012-01-04 — — 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 (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-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX MTNR1A 2334/4885MTNR1B 2337/4885POLB 186/4885

“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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