SCHEMBL3554344

SCHEMBL3554344

CCC(CC)(CCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCCC(=O)O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ PDE3B Q13370 5/20 0.37
▸ PDE3A Q14432 5/20 0.37
▸ PDE2A O00408 4/20 0.37
▸ P2RY12 Q9H244 3/20 0.37
▸ DGAT1 O75907 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ TOP1 P11387 3/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ CYCS P99999 3/20 0.34

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
SCHEMBL3554348 0.87 STAT3 (0.43) STAT3STAT1PDE3BPDE3APDE2A
SCHEMBL13547830 0.81 PDE3B (0.48) STAT3STAT1PDE3BPDE3AP2RY12
SCHEMBL13547834 0.78 STAT3 (0.49) STAT3STAT1PDE3BPDE3AP2RY12
SCHEMBL21523873 0.78 STAT3 (0.53) STAT3STAT1
SCHEMBL585086 0.77 STAT3 (0.55) STAT3STAT1TOP1CYCS
SCHEMBL584752 0.77 STAT3 (0.50) STAT3STAT1TOP1
Exeporfinium SCHEMBL585997 0.77 STAT3 (0.52) STAT3STAT1TOP1CYCS
Hydrochloric Acid SCHEMBL584371 0.76 STAT3 (0.49) STAT3STAT1TOP1
SCHEMBL14038527 0.76 STAT3 (0.51) STAT3STAT1
Exeporfinium SCHEMBL5012396 0.76 STAT3 (0.51) STAT3STAT1TOP1CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649091-B2 complex comprising manganese acetate and {[{(Porphine-5,15-diyl)bis[cyclopropyl-diyl]}](2-)-N21,N22,N23, N24 }; reduce damage to cells; preventing or arresting free radical associated diseases or conditions; free radical scavengers EUKARION, INC. (US) 2010-01-19 — — US disclosed
US-20060241095-A1 Orally bioavailable low molecular weight metalloporphyrins as antioxidants EUKARION, INC. 2006-10-26 — — US disclosed
EP-1631572-A2 ORALLY BIOAVAILABLE LOW MOLECULAR WEIGHT METALLOPORPHYRINS AS ANTIOXIDANTS EUKARION, INC. (US) 2006-03-08 — — EP disclosed
WO-2005000854-A2 ORALLY BIOAVAILABLE LOW MOLECULAR WEIGHT METALLOPORPHYRINS AS ANTIOXIDANTS EUKARION, INC. (US) 2005-01-06 — — 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-20060241095-A1 Orally bioavailable low molecular weight metalloporphyrins as antioxidants SLC40A1, HMOX1, SOD1 STAT3 3232/4885STAT1 3491/4885PDE3B 2098/4885

“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.

Send feedback