SCHEMBL16554127

SCHEMBL16554127

CCCCCCCCCN[C@H](C(=O)OC)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.45
EPHX1 P07099 8/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 1/20 0.39
FAAH O00519 1/20 0.39
BIRC2 Q13490 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16554128 1.00 ZDHHC7 (0.45) ZDHHC7EPHX1CA1CA2MAPT
SCHEMBL16554621 1.00 ZDHHC7 (0.45) ZDHHC7EPHX1CA1CA2MAPT
SCHEMBL12197297 0.90 POLB (0.41) CA1CA2MAPTHSD17B10POLB
SCHEMBL3964196 0.86 MAPT (0.50) ZDHHC7EPHX1CA1CA2MAPT
SCHEMBL3964199 0.86 MAPT (0.50) ZDHHC7EPHX1CA1CA2MAPT
SCHEMBL27743948 0.86 MAPT (0.50) ZDHHC7EPHX1CA1CA2MAPT
SCHEMBL17939720 0.84 SMN1; SMN2 (0.51) EPHX1MAPT
SCHEMBL11800511 0.84 SMN1; SMN2 (0.51) EPHX1MAPT
SCHEMBL11796686 0.84 SMN1; SMN2 (0.51) EPHX1MAPT
SCHEMBL26122722 0.84 SMN1; SMN2 (0.51) EPHX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925528-B2 Catalyst-controlled aliphatic C—H oxidations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
WO-2015035412-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 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 (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-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS HMOX1, SOD3, CYC1 ZDHHC7 219/4885EPHX1 1186/4885CA1 1569/4885

“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.