SCHEMBL2429328

SCHEMBL2429328

C=CCCCCC(N[C@H](C(=O)N1C[C@H](OC(=O)N2Cc3cccc(C=C)c3C2)C[C@H]1C(=O)OC)C(C)C)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.32
CYP19A1 P11511 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
SCHEMBL4398259 0.95 ACE (0.31) ABHD6
SCHEMBL2433593 0.90 ABHD6 (0.32) ABHD6
SCHEMBL8227815 0.88 ABHD6 (0.34) ABHD6CYP19A1
SCHEMBL2430723 0.87 ABHD6 (0.31) ABHD6CYP19A1
SCHEMBL4297844 0.87 CYP19A1 (0.32) CYP19A1
Trifluoroacetic Acid SCHEMBL2433587 0.87 ABHD6 (0.30) ABHD6
SCHEMBL8229439 0.82 CYP19A1 (0.33) CYP19A1
SCHEMBL8227246 0.81 ABHD6 (0.38) ABHD6CYP19A1
SCHEMBL8231179 0.81 ABHD6 (0.32) ABHD6CYP19A1
SCHEMBL16418965 0.81 ABHD6 (0.34) ABHD6CYP19A1

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-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 EP disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 ABHD6 3780/4885CYP19A1 2087/4885

“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.