SCHEMBL3998071

SCHEMBL3998071

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

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34

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
SCHEMBL31078599 0.79
SCHEMBL4175653 0.79
SCHEMBL14019694 0.77 CYP3A4 (0.35) CYP1A2
SCHEMBL13688396 0.77
SCHEMBL13688355 0.74 CYP3A4 (0.37) CYP1A2
SCHEMBL13688370 0.73 ALDH1A1 (0.38)
SCHEMBL4004361 0.73 TSHR (0.36) CYP1A2
SCHEMBL13688401 0.73 CYP3A4 (0.31) CYP1A2
SCHEMBL13688398 0.73
SCHEMBL13688397 0.73 KMT2A (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3278786-B1 DENTAL MATERIALS ON THE BASIS OF VINYLCYCLOPROPANE DERIVATIVES CONTAINING URETHANE GROUPS IVOCLAR VIVADENT AG (LI) 2019-01-23 EP claimed
US-7585901-B2 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2009-09-08 US disclosed
US-7585901-B2 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2009-09-08 US disclosed
US-7585901-B2 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2009-09-08 US disclosed
US-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-7365222-B2 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers IVOCLAR VIVADENT AG (LI) 2008-04-29 US disclosed
US-7365222-B2 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers IVOCLAR VIVADENT AG (LI) 2008-04-29 US disclosed
US-7365222-B2 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers IVOCLAR VIVADENT AG (LI) 2008-04-29 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
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 (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-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS CBR1, CYP8B1, OXER1 CYP1A2 89/4885
US-20040077882-A1 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials SCO2, CBR1, CORO1C CYP1A2 132/4885

“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.