SCHEMBL15813381

SCHEMBL15813381

CC(C)(C)OC(=O)Nc1[nH]ncc1CCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 14/20 0.39
▸ CYP4F2 P78329 13/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PTGER1 P34995 1/20 0.33

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
SCHEMBL28255203 0.74 CTSK (0.40) PTGDR2CYP2C9
SCHEMBL6502501 0.73 LMNA (0.43) —
SCHEMBL20542063 0.73 CA1 (0.40) —
SCHEMBL24408329 0.72 CYP17A1 (0.37) —
SCHEMBL6544482 0.71 RXRA (0.37) —
SCHEMBL6557087 0.71 SIGMAR1 (0.42) SIGMAR1
SCHEMBL21754350 0.70 MIF (0.38) PTGDR2
SCHEMBL21754348 0.70 CA1 (0.36) PTGDR2
SCHEMBL6557081 0.70 NPSR1 (0.43) SIGMAR1
SCHEMBL27660942 0.70 NQO2 (0.40) —

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-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 — — US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 — — US disclosed
US-20130217592-A1 ARRAYS AND METHODS COMPRISING M. SMITHII GENE PRODUCTS THE WASHINGTON UNIVERSITY (US) 2013-08-22 — — 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 CYP4A11 58/4885CYP4F2 160/4885PTGDR2 157/4885

“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.

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