SCHEMBL1395183

SCHEMBL1395183

C=C(C(=O)OC)C12CCCC1C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31

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
SCHEMBL13688358 0.95 CYP3A4 (0.35) ALDH1A1CYP1A2CYP3A4ABCB11LMNA
SCHEMBL14019677 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4002175 0.82 CYP3A4 (0.32) CYP1A2CYP3A4ABCB11LMNACHRM2
SCHEMBL13688355 0.82 CYP3A4 (0.37) ALDH1A1CYP1A2CYP3A4ABCB11LMNA
SCHEMBL13688396 0.81
SCHEMBL14019694 0.81 CYP3A4 (0.35) CYP1A2CYP3A4ABCB11LMNACHRM2
SCHEMBL14019710 0.79 CYP3A4 (0.32) CYP1A2CYP3A4ABCB11LMNACHRM2
SCHEMBL13688383 0.79 THRB (0.41) ALDH1A1CYP1A2CYP3A4ABCB11LMNA
SCHEMBL13688359 0.78 EPHX2 (0.33) CYP1A2CYP3A4ABCB11LMNACHRM2
SCHEMBL3998071 0.78 CYP1A2 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135136-B2 Dental materials based on urethane-group-containing vinylcyclopropane derivatives IVOCLAR VIVADENT AG (LI) 2021-10-05 US claimed
US-10660825-B2 2020-05-26 US claimed
US-20190167533-A1 DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES IVOCLAR VIVADENT AG (LI) 2019-06-06 US claimed
EP-3278786-B1 DENTAL MATERIALS ON THE BASIS OF VINYLCYCLOPROPANE DERIVATIVES CONTAINING URETHANE GROUPS IVOCLAR VIVADENT AG (LI) 2019-01-23 EP claimed
US-20180036209-A1 Dental Materials Based on Monofunctional Vinylcyclopropane Derivatives IVOCLAR VIVADENT AG (LI) 2018-02-08 US claimed
US-20230322820-A1 BISACYL DIGERMANIUM COMPOUNDS, THEIR PREPARATION AND THEIR USE AS PHOTOINITIATOR FOR RADICAL POLYMERIZATION EVONIK OPERATIONS GMBH (DE) 2023-10-12 US disclosed
EP-4257592-A1 BISACYL DIGERMANIUM COMPOUNDS, THEIR PREPARATION AND THEIR USE AS PHOTOINITIATOR FOR RADICAL POLYMERIZATION Evonik Operations GmbH (DE) 2023-10-11 EP disclosed
US-11142592-B2 Polymerizable compositions with acyltin photoinitiators IVOCLAR VIVADENT AG (LI) 2021-10-12 US disclosed
US-11135136-B2 Dental materials based on urethane-group-containing vinylcyclopropane derivatives IVOCLAR VIVADENT AG (LI) 2021-10-05 US disclosed
US-10787468-B2 Acyl germanium photoinitiators and process for the preparation thereof IVOCLAR VIVADENT AG (LI) 2020-09-29 US disclosed
US-10660825-B2 2020-05-26 US disclosed
US-20200087329-A1 Acyl Germanium Photoinitiators And Process For The Preparation Thereof IVOCLAR VIVADENT AG (LI) 2020-03-19 US disclosed
US-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2007-10-04 US disclosed
US-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2007-10-04 US disclosed
US-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2007-10-04 US disclosed
EP-1413569-B1 Bicyclic cyclopropane derivatives capable of polymerisation and their use in the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2006-12-13 EP disclosed
US-20060178469-A1 Polymerizable cyclopropyl acrylates IVOCLAR VIVADENT AG 2006-08-10 US disclosed
EP-1688125-A1 Polymerisable cyclopropylacrylates Ivoclar Vivadent AG (LI) 2006-08-09 EP disclosed
EP-1413569-A1 Bicyclic cyclopropane derivatives capable of polymerisation and their use in the preparation of dental materials Ivoclar Vivadent AG (LI) 2004-04-28 EP disclosed
US-20040077882-A1 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2004-04-22 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 (11 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-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS CBR1, CYP8B1, OXER1 ALDH1A1 2773/4885CYP1A2 89/4885CYP3A4 179/4885
US-20180036209-A1 Dental Materials Based on Monofunctional Vinylcyclopropane Derivatives HVCN1, RAD51, HYOU1 ALDH1A1 1243/4885CYP1A2 1037/4885CYP3A4 2318/4885
US-20200087329-A1 Acyl Germanium Photoinitiators And Process For The Preparation Thereof AGPAT5, AGPAT2, GLRA2 ALDH1A1 1349/4885CYP1A2 516/4885CYP3A4 109/4885
US-20190167533-A1 DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES RAD51, CBR1, DECR1 ALDH1A1 1734/4885CYP1A2 436/4885CYP3A4 1216/4885
US-20040077882-A1 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials SCO2, CBR1, CORO1C ALDH1A1 1884/4885CYP1A2 132/4885CYP3A4 306/4885
US-11142592-B2 Polymerizable compositions with acyltin photoinitiators AGPAT2, AGPAT5, MBOAT1 ALDH1A1 1039/4885CYP1A2 1347/4885CYP3A4 1912/4885
US-10787468-B2 Acyl germanium photoinitiators and process for the preparation thereof AGPAT5, AGPAT2, GLRA2 ALDH1A1 1349/4885CYP1A2 516/4885CYP3A4 109/4885
US-11135136-B2 Dental materials based on urethane-group-containing vinylcyclopropane derivatives RAD51, CBR1, DECR1 ALDH1A1 1734/4885CYP1A2 436/4885CYP3A4 1216/4885
US-20060178469-A1 Polymerizable cyclopropyl acrylates CBR3, CBR1, ACAD9 ALDH1A1 2762/4885CYP1A2 434/4885CYP3A4 1394/4885
US-10660825-B2 OXER1, CBR1, RAD51 ALDH1A1 2341/4885CYP1A2 125/4885CYP3A4 782/4885
US-20230322820-A1 BISACYL DIGERMANIUM COMPOUNDS, THEIR PREPARATION AND THEIR USE AS PHOTOINITIATOR FOR RADICAL POLYMERIZATION GLRA3, GLRA2, CBR3 ALDH1A1 765/4885CYP1A2 406/4885CYP3A4 379/4885

“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.