SCHEMBL1158686

SCHEMBL1158686

C=CCB(c1ccccc1)c1ccccc1CC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30
PIM1 P11309 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL27615397 0.80 GABRA1 (0.40) GABRA1GABRB2KDM4EALDH1A1GAA
SCHEMBL9777193 0.79 ALDH1A1 (0.36) GABRA1GABRB2KDM4EALDH1A1GAA
SCHEMBL1158664 0.78 GABRA1 (0.41) GABRA1GABRB2KDM4EALDH1A1AKR1B1
Benzene SCHEMBL28085432 0.72 GABRA1 (0.54) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL2942285 0.72 LIPG (0.48) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL7159511 0.71 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1MAPTTP53
SCHEMBL1158784 0.71 PTGDR (0.40) GABRA1GABRB2KDM4EALDH1A1GAA
SCHEMBL7160494 0.71 L3MBTL1 (0.36) GABRA1GABRB2KDM4EALDH1A1GAA
Hydrogen Peroxide SCHEMBL7819301 0.70 GABRA1 (0.58) GABRA1GABRB2KDM4EALDH1A1MAPT
Hydrogen Peroxide SCHEMBL10784213 0.70 GABRA1 (0.58) GABRA1GABRB2KDM4EALDH1A1MAPT

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 125 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
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 CN disclosed
US-20230381066-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY KURARAY NORITAKE DENTAL INC. (JP) 2023-11-30 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
EP-4238546-A1 DENTAL CURABLE COMPOSITION HAVING GOOD COLOR COMPATIBILITY Kuraray Noritake Dental Inc. (JP) 2023-09-06 EP disclosed
CN-116367806-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2023-06-30 CN disclosed
WO-2023120611-A1 CURABLE DENTAL COMPOSITION クラレノリタケデンタル株式会社 2023-06-29 WO disclosed
WO-2023120610-A1 DENTAL CURABLE COMPOSITION クラレノリタケデンタル株式会社 2023-06-29 WO disclosed
EP-0811368-B1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORP (JP) 2003-07-23 EP 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-5866631-A POLYMERIZABLE MONOMER CONTAINING AN ACIDIC GROUP, WATER, ARYL BORATE AND TRANSITION METAL COMPOUND. TOKUYAMA CORPORATION (JP) 1999-02-02 US disclosed
US-5744511-A BLEND OF COUMARIN DYES, ACID GENERATOR AND ARYL BORATE TOKUYAMA CORPORATION (JP) 1998-04-28 US disclosed
EP-0811368-A1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORPORATION (JP) 1997-12-10 EP 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 (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-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond CAD, DCLRE1A, STIM1 GABRA1 1863/4885GABRB2 3021/4885KDM4E 667/4885
US-20030050359-A1 Dental adhesive composition CAD, ASIC1, CD44 GABRA1 226/4885GABRB2 1040/4885KDM4E 796/4885

“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.