SCHEMBL3554346

SCHEMBL3554346

CCc1c2nc(c(-c3ccc(OCCCC(=O)O)cc3)c3ccc([nH]3)c(CC)c3nc(c(-c4ccc(OCCCC(=O)O)cc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.48
▸ CYCS P99999 4/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ P2RY12 Q9H244 2/20 0.42
▸ PDE2A O00408 2/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ TERT O14746 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL15399779 0.81 TOP1 (0.49) TOP1CYCSABCG2PDE3BPDE3A
SCHEMBL30567312 0.79 TERT (0.49) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3794157 0.78 TOP1 (0.61) TOP1CYCSABCG2PDE3BPDE3A
SCHEMBL29558419 0.78 TOP1 (0.61) TOP1CYCSABCG2PDE3BPDE3A
SCHEMBL2531376 0.77 TERT (0.49) TOP1CYCSABCG2ENPP2TERT
SCHEMBL8031578 0.77 TERT (0.49) TOP1CYCSABCG2ENPP2TERT
SCHEMBL12190732 0.77 TERT (0.49) TOP1CYCSABCG2ENPP2TERT
SCHEMBL28675056 0.76 TOP1 (0.47) TOP1CYCSABCG2ENPP2TERT
SCHEMBL12057399 0.76 ENPP2 (0.46) TOP1CYCSABCG2ENPP2TERT
SCHEMBL12633085 0.75 TERT (0.47) TOP1CYCSABCG2ENPP2TERT

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 TOP1 2805/4885CYCS 586/4885ABCG2 129/4885

“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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