SCHEMBL1159239

SCHEMBL1159239

C=CCB(c1ccc(OCCCCCCCC)cc1)c1ccc(OCCCCCCCC)cc1CC=C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.40
CNR2 P34972 2/20 0.40
LTA4H P09960 3/20 0.39
TP53 P04637 3/20 0.37
TSHR P16473 2/20 0.37
CNR1 P21554 1/20 0.37
PLA2G4B P0C869 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1159122 0.98 CNR2 (0.41) NR5A1CNR2LTA4HCNR1LMNA
SCHEMBL7178229 0.86 NR5A1 (0.43) NR5A1CNR2LTA4HTP53TSHR
SCHEMBL1159051 0.85 NR5A1 (0.41) NR5A1CNR2LTA4HTP53TSHR
SCHEMBL1158665 0.82 CNR2 (0.41) NR5A1CNR2LTA4HTSHRCNR1
SCHEMBL7159511 0.80 ALDH1A1 (0.45) CNR2TP53TSHRLMNAMAPT
SCHEMBL1159144 0.77 CA1 (0.41) CNR2CNR1HPGDGAAMAPT
SCHEMBL1159083 0.74 TSHR (0.41) CNR2TSHRCNR1PLA2G4B
SCHEMBL9614908 0.74 NR5A1 (0.53) NR5A1CNR2LTA4HTP53TSHR
SCHEMBL11032751 0.74 CNR2 (0.61) NR5A1CNR2CNR1LMNAGAA
Methane SCHEMBL10531602 0.73 NR5A1 (0.51) NR5A1CNR2LTA4HTP53TSHR

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond KABUSHIKI KAISHA SHOFU (JP) 2024-01-09 US disclosed
EP-2979679-B1 CURABLE COMPOSITION FOR DENTAL USE KURARAY NORITAKE DENTAL INC (JP) 2023-11-29 EP disclosed
WO-2023182514-A1 ADHESIVE COMPOSITION FOR STEREOLITHOGRAPHIC ARTICLE AND NON-STEREOLITHOGRAPHIC ARTICLE クラレノリタケデンタル株式会社 2023-09-28 WO disclosed
EP-2216349-B1 USE OF A PHENOL TYPE COMPOUND IN A DENTAL CHEMICAL POLYMERIZATION CATALYST WITH IMPROVED POLYMERIZING ACTIVITY TOKUYAMA DENTAL CORP (JP) 2023-09-20 EP disclosed
US-11607370-B2 Dental composition KURARAY NORITAKE DENTAL INC. (JP) 2023-03-21 US disclosed
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND KABUSHIKI KAISHA SHOFU (JP) 2021-12-23 US disclosed
US-11173100-B2 Multi-part dental cement KURARAY NORITAKE DENTAL INC. (JP) 2021-11-16 US disclosed
EP-3530258-B1 MULTI-PACK TYPE DENTAL CEMENT KURARAY NORITAKE DENTAL INC (JP) 2021-08-18 EP disclosed
WO-2021154897-A1 PHOTOHARDENABLE COMPOSITIONS INCLUDING AN UPCONVERTING COMPONENT AND METHODS QUADRATIC 3D, INC. (US) 2021-08-05 WO disclosed
US-20210186823-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2021-06-24 US disclosed
US-6759449-B2 NONCROSSLINKING POLYMETHYL METHACRYLATE AND POLYETHYL METH-ACRYLATE SPHERICAL FILLER, UNSATURATED ACID FUNCTIONALIZED MONOMER AND POLYMERIZATION INITIATOR TOKUYAMA DENTAL CORPORATION (JP) 2004-07-06 US disclosed
US-20040006154-A1 Deantal catalyst for chemical polymerization and use thereof IBARAGI KAZUYA (JP) 2004-01-08 US disclosed
US-6660784-B2 Adhesives; mixture of peroxy compounds and tetraphenylborate as catalyst TOKUYAMA CORPORATION (JP) 2003-12-09 US disclosed
US-20030050359-A1 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2003-03-13 US disclosed
EP-1249221-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2002-10-16 EP disclosed
US-20020132951-A1 Dental catalyst for chemical polymerization and use thereof TOKUYAMA CORPORATION 2002-09-19 US disclosed
EP-1190695-A1 Catalyst for chemical polymerization of dental materials TOKUYAMA CORPORATION (JP) 2002-03-27 EP disclosed
EP-0738928-B1 Visible-ray polymerization initiator and visible-ray polymerizable composition TOKUYAMA CORP (JP) 2001-06-20 EP disclosed
US-5744511-A BLEND OF COUMARIN DYES, ACID GENERATOR AND ARYL BORATE TOKUYAMA CORPORATION (JP) 1998-04-28 US disclosed
EP-0738928-A2 Visible-ray polymerization initiator and visible-ray polymerizable composition TOKUYAMA CORPORATION (JP) 1996-10-23 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 (7 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-20040006154-A1 Deantal catalyst for chemical polymerization and use thereof MPO, DBN1, BRD1 NR5A1 2903/4885CNR2 4597/4885LTA4H 729/4885
US-11607370-B2 Dental composition ITGAL, ITGA1, ITGB3 NR5A1 3993/4885CNR2 4581/4885LTA4H 2892/4885
US-11173100-B2 Multi-part dental cement ASH2L, CAD, SETDB1 NR5A1 4332/4885CNR2 4413/4885LTA4H 1005/4885
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond CAD, DCLRE1A, STIM1 NR5A1 3353/4885CNR2 3007/4885LTA4H 1355/4885
US-20030050359-A1 Dental adhesive composition CAD, ASIC1, CD44 NR5A1 3752/4885CNR2 4860/4885LTA4H 1346/4885
US-20210186823-A1 DENTAL COMPOSITION ITGAL, ITGA1, ITGB3 NR5A1 3993/4885CNR2 4581/4885LTA4H 2892/4885
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND CAD, DCLRE1A, STIM1 NR5A1 3353/4885CNR2 3007/4885LTA4H 1355/4885

“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.