SCHEMBL3318245

SCHEMBL3318245

CCCCN(C)C(=O)N(C)[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
NPC1 O15118 2/20 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
SCHEMBL11631933 0.82 EPHX2 (0.52) EPHX2CA12CA1CA9CYP1A2
SCHEMBL9424278 0.78 ALDH1A1 (0.46) EPHX2CA12CA1CA9CYP1A2
SCHEMBL10816873 0.75 EPHX2 (0.59) EPHX2ALDH1A1SIGMAR1KDM5AKDM4C
SCHEMBL29407141 0.73 EPHX2 (0.62) EPHX2TSHRALDH1A1CES2CES1
SCHEMBL5253602 0.73 CA12 (0.43) CA12CA1CA9TSHRALDH1A1
SCHEMBL20625249 0.73 EPHX2 (0.62) EPHX2TSHRALDH1A1CES2CES1
SCHEMBL11634642 0.73 EPHX2 (0.62) EPHX2TSHRALDH1A1CES2CES1
SCHEMBL11046710 0.73 EPHX2 (0.62) EPHX2TSHRALDH1A1CES2CES1
SCHEMBL3310787 0.72 ALDH1A1 (0.41) EPHX2CA12CA1CA9ALDH1A1
SCHEMBL9423928 0.71 EPHX2 (0.51) EPHX2ALDH1A1SIGMAR1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318160-B1 Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use DEGUSSA (DE) 2007-09-26 EP claimed
EP-1318152-B1 Catalysts and process for preparing polyisocyanates containing isocyanurate groups DEGUSSA (DE) 2007-09-19 EP claimed
US-6875243-B2 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2005-04-05 US claimed
US-20030135007-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-07-17 US claimed
US-20030109665-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-06-12 US claimed
US-4412073-A Isocyanurate preparation by catalytic, aminosilyl initiated cyclotrimerization of isocyanates RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-10-25 US claimed
US-8445622-B2 Process for preparing polyisocyanates BASF SE (DE) 2013-05-21 US disclosed
US-20100292396-A1 PROCESS FOR PREPARING POLYISOCYANATES BASF SE (DE) 2010-11-18 US disclosed
US-20100105833-A1 WATER-EMULSIFIABLE POLYISOCYANATES BASF SE (DE) 2010-04-29 US disclosed
US-6875243-B2 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2005-04-05 US disclosed
US-20030135007-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-07-17 US disclosed
US-20030109665-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-06-12 US disclosed
US-4697014-A Catalytic partial cyclotrimerization of polyisocyanates and product thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1987-09-29 US disclosed
US-4675401-A Process for preparing polyisocyanato/polyisocyanurates by catalytic cyclotrimerization of polyisocyanates RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1987-06-23 US disclosed
US-4537961-A Catalytic cyclotrimerization of polyisocyanates RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-08-27 US disclosed
US-4412073-A Isocyanurate preparation by catalytic, aminosilyl initiated cyclotrimerization of isocyanates RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-10-25 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-20100292396-A1 PROCESS FOR PREPARING POLYISOCYANATES PCBP1, ALKBH3, AGPS EPHX2 377/4885CA12 1000/4885CA1 1250/4885
US-20100105833-A1 WATER-EMULSIFIABLE POLYISOCYANATES AQP3, AQP1, AQP4 EPHX2 78/4885CA12 1138/4885CA1 2442/4885

“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.