SCHEMBL10045828

SCHEMBL10045828

CC(C)(C)OC(=O)NCCCCC1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)C(CCCCNC(=O)OC(C)(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.60
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
MIF P14174 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL800516 0.96 TERT (0.56) TERTTDP1CA1CA2CA12
SCHEMBL805170 0.93 TERT (0.52) TERTTDP1CA1CA2CA12
SCHEMBL800910 0.76 TERT (1.00) TERT
SCHEMBL24569734 0.69 TDP1 (0.48) TDP1CA1CA2CA12CA9
SCHEMBL11957443 0.69 TDP1 (0.48) TDP1CA1CA2CA12CA9
SCHEMBL12571333 0.68 TDP1 (0.51) TDP1CA1CA2CA12CA9
SCHEMBL22953521 0.67 TDP1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL13254143 0.67 TDP1 (0.51) TDP1CA1CA2CA12CA9
SCHEMBL22953524 0.66 TDP1 (0.45) TDP1CA1CA2CA12CA9
SCHEMBL22953529 0.66 TDP1 (0.45) TDP1CA1CA2CA12CA9

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TERT 113/4885TDP1 96/4885CA1 4795/4885

“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.