SCHEMBL3556863

SCHEMBL3556863

COC(C)(OC)c1c(-c2ncc[nH]2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL2963034 0.84 NISCH (0.36) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL3520926 0.78 ADORA2A (0.33) —
SCHEMBL2955031 0.73 STAT3 (0.52) —
SCHEMBL2963039 0.71 STAT3 (0.50) —
SCHEMBL2955029 0.71 IDO1 (0.36) ALDH1A1
SCHEMBL29834821 0.71 IDO1 (0.36) ALDH1A1
SCHEMBL2962139 0.70 IDO1 (0.35) ALDH1A1
Methoxymethane SCHEMBL28698428 0.68 STAT3 (0.38) —
Methoxymethane SCHEMBL27581743 0.68 STAT3 (0.38) —
SCHEMBL3336067 0.67 STAT3 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718201-B1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2016-09-14 — — EP disclosed
US-20150344509-A1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2015-12-03 — — US disclosed
US-9096628-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2015-08-04 — — US disclosed
US-20140080797-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2014-03-20 — — US disclosed
US-8618089-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2013-12-31 — — US disclosed
US-20120264725-A1 SUBSTITUTED PORPHYRINS BATINIC-HABERLE INES (US) 2012-10-18 — — US disclosed
US-8183364-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-20100305083-A1 SUBSTITUTED PORPHYRINS BATINIC-HABERLE INES 2010-12-02 — — US disclosed
US-7807825-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2010-10-05 — — US disclosed
US-20080021007-A1 Substituted Porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 — — 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 (5 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-20150344509-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB TLR9 2470/4885TLR8 3482/4885TLR7 3242/4885
US-20120264725-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB TLR9 2470/4885TLR8 3482/4885TLR7 3242/4885
US-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 TLR9 3729/4885TLR8 4177/4885TLR7 3984/4885
US-20140080797-A1 SUBSTITUTED PORPHYRINS PPOX, FECH, MB TLR9 2470/4885TLR8 3482/4885TLR7 3242/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 TLR9 3750/4885TLR8 4234/4885TLR7 4006/4885

“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