SCHEMBL2500668

SCHEMBL2500668

CC(C)(C)OC(=O)CCC1(N)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL27793130 0.98 EPHX2 (0.33) EPHX2
SCHEMBL29087328 0.79 TSHR (0.46) EPHX2
SCHEMBL491105 0.78 EPHX2 (0.32) EPHX2
SCHEMBL3447711 0.78 TSHR (0.44) EPHX2
SCHEMBL2503186 0.77 CYP2C19 (0.40) EPHX2
SCHEMBL5823235 0.76 CYP2C19 (0.43) EPHX2
SCHEMBL12358722 0.76 EPHX2 (0.32) EPHX2
SCHEMBL27960992 0.76 TSHR (0.46) EPHX2
SCHEMBL8098512 0.75 EPHX2 (0.35) EPHX2
SCHEMBL23833073 0.73 EPHX2 (0.32) EPHX2

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-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 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 (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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 EPHX2 120/4885HDAC3 2412/4885HDAC1 3656/4885

“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.