SCHEMBL4645689

SCHEMBL4645689

CC(=O)Oc1c(O)cccc1C=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
ERN1 O75460 4/20 0.55
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
IAPP P10997 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8626853 0.84 CA1 (0.46) CA1CA2ERN1KDM4EHSD17B10
SCHEMBL4644793 0.83 CA1 (0.62) CA1CA2ERN1TRIM24TRIM33
SCHEMBL7093557 0.82 KDM4E (0.52) CA1CA2KDM4EHSD17B10MAPT
SCHEMBL4645683 0.82 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL5241671 0.82 MAPK1 (0.57) CA1CA2ERN1TLR2TLR1
SCHEMBL6555324 0.81 ERN1 (0.55) CA1CA2ERN1TLR2TLR1
SCHEMBL11477102 0.81 CA1 (0.46) CA1CA2ERN1TLR2TLR1
SCHEMBL470709 0.79 CA1 (1.00) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4647336 0.79 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33
SCHEMBL20455905 0.79 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 US disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 CA1 3222/4885CA2 2848/4885ERN1 3729/4885

“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.