SCHEMBL13049575

SCHEMBL13049575

CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@@H]21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.64
▸ PLCD1 P51178 1/20 0.57
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TPSAB1 Q15661 1/20 0.56
▸ ITGB1 P05556 1/20 0.55
▸ ITGA4 P13612 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54

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
SCHEMBL10277136 1.00 TDP1 (0.64) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL4904852 1.00 TDP1 (0.64) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL26490546 1.00 TDP1 (0.64) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL7936987 1.00 TDP1 (0.64) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL15482071 1.00 TDP1 (0.64) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL4740816 0.99 TDP1 (0.65) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL20711508 0.97 TDP1 (0.62) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL20042594 0.97 TDP1 (0.62) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL30735993 0.96 TDP1 (0.61) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL31135784 0.96 TDP1 (0.61) TDP1PLCD1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 — — US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 — — 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 TDP1 118/4885PLCD1 2747/4885F2 3126/4885

“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