SCHEMBL2641404

SCHEMBL2641404

CC(C)(C)NC(=O)OCCCOCCOCCOCCCN

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
ACHE P22303 7/20 0.32
CYP1A2 P05177 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL2704670 0.91 EPHX1 (0.37) EPHX1ACHECYP1A2
SCHEMBL1205899 0.86 EPHX1 (0.40) EPHX1ACHECYP1A2
SCHEMBL27972821 0.84 ACHE (0.32) ACHE
SCHEMBL27684736 0.84 EPHX1 (0.43) EPHX1ACHE
SCHEMBL29104752 0.84 ACHE (0.32) ACHE
SCHEMBL28656034 0.84 ACHE (0.32) ACHE
SCHEMBL28056747 0.84 EPHX1 (0.43) EPHX1ACHE
SCHEMBL31425438 0.84 ACHE (0.32) ACHE
Hydrochloric Acid SCHEMBL27247810 0.83 EPHX1 (0.42) EPHX1ACHE
SCHEMBL28837511 0.81 TLR2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190302026-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH WOOLEY KAREN L (US) 2019-10-03 US disclosed
US-20180335385-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH THE WASHINGTON UNIVERSITY 2018-11-22 US disclosed
US-9662387-B2 Functional, cross-linked nanostructures for tandem optical imaging and therapy MALLINCKRODT LLC (US) 2017-05-30 US disclosed
US-20160256550-A1 FUNCTIONAL, CROSS-LINKED NANOSTRUCTURES FOR TANDEM OPTICAL IMAGING AND THERAPY MALLINCKRODT LLC (US) 2016-09-08 US disclosed
US-9295650-B2 Functional, cross-linked nanostructures for tandem optical imaging and therapy MALLINCKRODT LLC (US) 2016-03-29 US disclosed
US-20150346099-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH WOOLEY KAREN L (US) 2015-12-03 US disclosed
US-20130210156-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH THE TEXAS A&M UNIVERSITY SYSTEM 2013-08-15 US disclosed
US-20130137976-A1 Functional, Cross-Linked Nanostructures for Tandem Optical Imaging and Therapy IKARIA THERAPEUTICS LLC 2013-05-30 US disclosed
WO-2011143540-A1 UNIFORM, FUNCTIONALIZED, CROSS-LINKED NANOSTRUCTURES FOR MONITORING pH MALLINCKRODT LLC (US) 2011-11-17 WO 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 (4 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-20160256550-A1 FUNCTIONAL, CROSS-LINKED NANOSTRUCTURES FOR TANDEM OPTICAL IMAGING AND THERAPY MTCL3, EPHA2, UACA EPHX1 567/4885ACHE 467/4885CYP1A2 4504/4885
US-20190302026-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH MUC1, CD44, PFN1 EPHX1 238/4885ACHE 435/4885CYP1A2 4268/4885
US-20130137976-A1 Functional, Cross-Linked Nanostructures for Tandem Optical Imaging and Therapy MTCL3, EPHA2, UACA EPHX1 567/4885ACHE 467/4885CYP1A2 4504/4885
US-20180335385-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH MUC1, CD44, PFN1 EPHX1 238/4885ACHE 435/4885CYP1A2 4268/4885

“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.