SCHEMBL709652

SCHEMBL709652

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OC(=O)C(=C)C)c(OCCC)c2OCCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
HIF1A Q16665 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
AR P10275 2/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G4B P0C869 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACB O00763 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL709149 0.93 HTT (0.38) HTTHIF1AARPOLBLMNA
SCHEMBL27028806 0.88 POLB (0.41) HTTADRB2ADRB1ADRB3POLB
SCHEMBL709814 0.81 HTT (0.36) HTTHIF1AARPOLBLMNA
SCHEMBL346943 0.81 POLB (0.42) HTTPOLBLMNAMAPTACACB
SCHEMBL31152429 0.81 POLB (0.42) HTTPOLBLMNAMAPTACACB
SCHEMBL15349 0.81 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL20610370 0.81 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL22020008 0.81 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL11967041 0.81 HTT (0.53) HTTHIF1AARPOLBLMNA
SCHEMBL14173202 0.81 HTT (0.53) HTTHIF1AARPOLBLMNA

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-4331559-A1 DENTAL FILLING KIT Kuraray Noritake Dental Inc. (JP) 2024-03-06 EP disclosed
US-20220142754-A1 DENTAL MILL BLANK KURARAY NORITAKE DENTAL INC. (JP) 2022-05-12 US disclosed
EP-3925593-A1 DENTAL MILL BLANK Kuraray Noritake Dental Inc. (JP) 2021-12-22 EP disclosed
WO-2020166667-A1 DENTAL MILL BLANK クラレノリタケデンタル株式会社 2020-08-20 WO disclosed
EP-2119425-B1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2019-06-12 EP disclosed
EP-3108868-B1 DENTAL RESTORATIVE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2018-10-31 EP disclosed
US-9993394-B2 Dental restorative composition KURARAY NORITAKE DENTAL INC. (JP) 2018-06-12 US disclosed
EP-2275076-B1 DENTAL COMPOSITION AND COMPOSITE RESIN KURARAY NORITAKE DENTAL INC (JP) 2017-03-01 EP disclosed
US-20170049665-A1 DENTAL RESTORATIVE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2017-02-23 US disclosed
EP-3108868-A1 DENTAL RESTORATIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2016-12-28 EP disclosed
EP-2554154-B1 DENTAL ADHESIVE MATERIAL KIT KURARAY NORITAKE DENTAL INC (JP) 2015-10-21 EP disclosed
US-8703840-B2 Dental adhesive material kit KURARAY NORITAKE DENTAL INC. (JP) 2014-04-22 US disclosed
US-8455564-B2 Dental composition and composite resin KURARAY NORITAKE DENTAL INC. (JP) 2013-06-04 US disclosed
EP-2554154-A1 DENTAL ADHESIVE MATERIAL KIT KURARAY NORITAKE DENTAL INC. (JP) 2013-02-06 EP disclosed
US-20120202913-A1 DENTAL ADHESIVE MATERIAL KIT KURARAY MEDICAL INC. (JP) 2012-08-09 US disclosed
US-8124669-B2 Dental composition KURARAY MEDICAL INC. (JP) 2012-02-28 US disclosed
US-20110046261-A1 DENTAL COMPOSITION AND COMPOSITE RESIN KURARAY MEDICAL INC. (JP) 2011-02-24 US disclosed
EP-2275076-A1 DENTAL COMPOSITION AND COMPOSITE RESIN Kuraray Medical Inc. (JP) 2011-01-19 EP disclosed
US-20110003267-A1 DENTAL COMPOSITION KURARAY MEDICAL INC. (JP) 2011-01-06 US disclosed
EP-2119425-A1 DENTAL COMPOSITION Kuraray Medical Inc. (JP) 2009-11-18 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 (3 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-20170049665-A1 DENTAL RESTORATIVE COMPOSITION CAD, DHCR24, PRNP HTT 864/4885HIF1A 2479/4885ADRB2 4076/4885
US-20110046261-A1 DENTAL COMPOSITION AND COMPOSITE RESIN CAD, KATNAL2, ZYX HTT 1173/4885HIF1A 801/4885ADRB2 3990/4885
US-20110003267-A1 DENTAL COMPOSITION NLRP3, TAS2R42, CAD HTT 704/4885HIF1A 136/4885ADRB2 1753/4885

“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.