SCHEMBL4002175

SCHEMBL4002175

COC(=O)C(=O)C12CCCC1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL1395183 0.82 ALDH1A1 (0.33) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL6267359 0.81 NPSR1 (0.38) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL13688358 0.77 CYP3A4 (0.35) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL29726715 0.76 MAPT (0.42) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL17878109 0.74
SCHEMBL16647371 0.74
SCHEMBL1709532 0.72 CYP3A4 (0.45) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL31078599 0.71
SCHEMBL4175653 0.71
SCHEMBL14019677 0.70 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP3A4 179/4885ABCB11 719/4885LMNA 1064/4885
US-20040077882-A1 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials SCO2, CBR1, CORO1C CYP3A4 306/4885ABCB11 634/4885LMNA 789/4885

“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.