SCHEMBL4117174

SCHEMBL4117174

CCCCCC(CC)OCCCN

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.52
CYP3A4 P08684 1/20 0.46
TLR2 O60603 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL23270387 0.98 DNM1 (0.55) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL30340413 0.94 CYP3A4 (0.52) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL9137286 0.90 DNM1 (0.60) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL1151950 0.90 DNM1 (0.59) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL7943647 0.90 DNM1 (0.59) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL7941081 0.90 DNM1 (0.59) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL7943619 0.90 DNM1 (0.59) DNM1CYP3A4TLR2MEN1KMT2A
Bromide SCHEMBL28653534 0.88 DNM1 (0.57) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL3232004 0.88 DNM1 (0.57) DNM1CYP3A4TLR2MEN1KMT2A
SCHEMBL28429637 0.87 DNM1 (0.48) DNM1TLR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2014-09-11 US disclosed
US-8821754-B2 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2014-09-02 US disclosed
EP-1996669-B1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL NV (NL) 2012-09-26 EP disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2009-05-07 US disclosed
US-20090042749-A1 N,N-Dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-12 US disclosed
EP-1996669-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES Akzo Nobel N.V. (NL) 2008-12-03 EP disclosed
EP-1676831-B1 N,N-dialkylpolyhydroxyalkylamines AIR PROD & CHEM (US) 2008-10-08 EP disclosed
CN-101058544-A N,n'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PROD & CHEM (US) 2007-10-24 CN disclosed
CN-101058545-A N,n'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PROD & CHEM (US) 2007-10-24 CN disclosed
EP-1676831-A1 N,N-dialkylpolyhydroxyalkylamines Air Products and Chemicals, Inc. (US) 2006-07-05 EP disclosed
US-20060100127-A1 N,N-dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. 2006-05-11 US disclosed
EP-1637038-A2 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-22 EP disclosed
CN-1724509-A N, N' -dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PROD & CHEM (US) 2006-01-25 CN disclosed
US-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. 2006-01-19 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
EP-0140324-B1 POLYARYLENE SULFIDES WITH REDUCED CORROSIVENESS BAYER AG (DE) 1989-06-21 EP disclosed
US-4609699-A AMINE STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1986-09-02 US disclosed
EP-0140324-A2 Polyarylene sulfides with reduced corrosiveness BAYER AG (DE) 1985-05-08 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 (3 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-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AGL, SFN, MGAT1 DNM1 3150/4885CYP3A4 1195/4885TLR2 1358/4885
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AQP1, AQP3, AQP4 DNM1 3207/4885CYP3A4 1801/4885TLR2 3161/4885
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AQP1, AQP4, AQP3 DNM1 2444/4885CYP3A4 1658/4885TLR2 4291/4885

“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.