SCHEMBL12833641

SCHEMBL12833641

COc1ccccc1CC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.51
CDC25B P30305 2/20 0.51
TBXAS1 P24557 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
DUSP3 P51452 1/20 0.46
KMT2A Q03164 1/20 0.46
IDH1 O75874 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APAF1 O14727 1/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
CNR2 P34972 4/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL12833653 0.84 MAPT (0.48) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL12834582 0.84 CDC25A (0.45) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL15691033 0.83 ALDH1A1 (0.45) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL12834573 0.82 SMN1; SMN2 (0.49) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL29906350 0.80 TBXAS1 (0.53) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL26982467 0.80 TBXAS1 (0.53) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL5810540 0.79 TBXAS1 (0.62) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL12833644 0.78 TBXAS1 (0.51) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL12833650 0.78 CA2 (0.53) CDC25ACDC25BTBXAS1KDM4EALDH1A1
SCHEMBL12834580 0.78 TBXAS1 (0.50) CDC25ACDC25BTBXAS1KDM4EALDH1A1

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-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 EP disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 US disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 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-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL CDC25A 540/4885CDC25B 576/4885TBXAS1 183/4885

“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.