SCHEMBL3749264

SCHEMBL3749264

COC1=C(C=C(C)C(=O)O)C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 14/20 1.00
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
CDC25A P30304 2/20 0.53
CDC25B P30305 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAP2K7 O14733 1/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL3749262 1.00 APEX1 (1.00) APEX1ALDH1A1MAPTCDC25ACDC25B
SCHEMBL14135267 0.83 APEX1 (0.71) APEX1ALDH1A1MAPTCDC25ACDC25B
SCHEMBL3748323 0.82 APEX1 (1.00) APEX1ALDH1A1MAPTPOLBRAB9A
SCHEMBL3748321 0.82 APEX1 (1.00) APEX1ALDH1A1MAPTPOLBRAB9A
SCHEMBL3745796 0.82 APEX1 (1.00) APEX1ALDH1A1MAPTCDC25ACDC25B
SCHEMBL3745792 0.82 APEX1 (1.00) APEX1ALDH1A1MAPTCDC25ACDC25B
SCHEMBL3754576 0.81 APEX1 (1.00) APEX1MAPTSMN1; SMN2RAB9AAKR1C3
SCHEMBL3754575 0.81 APEX1 (1.00) APEX1MAPTSMN1; SMN2RAB9AAKR1C3
SCHEMBL3745788 0.81 APEX1 (1.00) APEX1ALDH1A1MAPTCDC25ARAB9A
SCHEMBL3761580 0.81 APEX1 (1.00) APEX1MAPTSMN1; SMN2RAB9AAKR1C3

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
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-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 1/4885ALDH1A1 210/4885MAPT 2625/4885

“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.