SCHEMBL2500706

SCHEMBL2500706

COC(=O)C(CO)NC(=O)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.54
EPHX2 P34913 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5553937 0.80 EPHX1 (0.55) EPHX1EPHX2LMNAALDH1A1KDM4E
SCHEMBL14952209 0.78 NPSR1 (0.41) EPHX1EPHX2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3249206 0.76 EPHX1 (0.60) EPHX1EPHX2ALDH1A1NPC1RAB9A
SCHEMBL3249205 0.76 EPHX1 (0.60) EPHX1EPHX2ALDH1A1NPC1RAB9A
SCHEMBL18620682 0.76 GLS (0.39) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8164181 0.74 ALDH1A1 (0.71) EPHX1EPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL14424447 0.74 EPHX1 (0.66) EPHX1EPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL8250809 0.74 EPHX1 (0.70) EPHX1EPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL4136145 0.73 EPHX1 (0.64) EPHX1EPHX2SMN1; SMN2LMNAALDH1A1
SCHEMBL9112727 0.72 LMNA (0.61) EPHX1EPHX2SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030513-B2 Rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-04 US disclosed
US-20100204376-A1 Rheology Control Agents AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2010-08-12 US disclosed
US-7741510-B2 Rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-22 US disclosed
EP-1838749-A1 COATING COMPOSITIONS CONTAINING RHEOLOGY CONTROL AGENTS E.I.Du pont de nemours and company (US) 2007-10-03 EP disclosed
WO-2006076715-A1 COATING COMPOSITIONS CONTAINING RHEOLOGY CONTROL AGENTS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-20 WO disclosed
US-20060155021-A1 Coating compositions containing rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
US-20060155146-A1 Rheology control agents AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 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-20060155146-A1 Rheology control agents HCRTR1, HCRTR2, REL EPHX1 1092/4885EPHX2 608/4885SMN1; SMN2 3722/4885
US-20100204376-A1 Rheology Control Agents HCRTR1, HCRTR2, REL EPHX1 1092/4885EPHX2 608/4885SMN1; SMN2 3722/4885

“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.