Sugi Predict

Sugi Predict / Compounds / SCHEMBL3760705

SCHEMBL3760705

SCHEMBL3760705

CCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 14/20 0.84
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AVPR2 P30518 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35

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
SCHEMBL3760706 1.00 APEX1 (0.84) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3755865 0.91 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3755868 0.91 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
Apx-3330 SCHEMBL3758719 0.89 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
Apx-3330 SCHEMBL3758716 0.89 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3754350 0.88 APEX1 (0.74) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3754346 0.88 APEX1 (0.74) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3749103 0.87 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL3749105 0.87 APEX1 (1.00) APEX1MAPTTDP1ALDH1A1THRB
SCHEMBL17689686 0.76 APEX1 (0.90) APEX1MAPTTDP1ALDH1A1THRB

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
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 — — EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 — — US disclosed
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
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 APEX1 1/4885MAPT 2625/4885TDP1 118/4885

“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.