SCHEMBL4275162

SCHEMBL4275162

CCCCCCCCCCCCCCCOC(CC)NOCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.42
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
EPHX1 P07099 1/20 0.33
THRB P10828 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
TLR2 O60603 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
SCHEMBL4279417 1.00 DNM1 (0.42) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL4280445 1.00 DNM1 (0.42) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL4271919 1.00 DNM1 (0.42) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL4275681 1.00 DNM1 (0.42) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL8752574 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL21796212 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL8752626 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL21796213 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL8752648 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1
SCHEMBL9229024 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042749-A1 N,N-Dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-12 US disclosed
EP-1676831-B1 N,N-dialkylpolyhydroxyalkylamines AIR PROD & CHEM (US) 2008-10-08 EP 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
US-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. 2006-01-19 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 (1 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 3150/4885LPAR1 662/4885LPAR3 690/4885

“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.