SCHEMBL12833650

SCHEMBL12833650

COc1ccc(CC2=C(C)C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
TBXAS1 P24557 1/20 0.51
NR1H3 Q13133 2/20 0.48
NR1H2 P55055 1/20 0.48
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
DUSP3 P51452 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL12833644 0.86 TBXAS1 (0.51) TBXAS1CDC25ACDC25BMAPTMEN1
SCHEMBL12833654 0.81 MAPT (0.65) TBXAS1NR1H3CDC25ACDC25BMAPT
SCHEMBL1506990 0.80 TBXAS1 (0.55) TBXAS1NR1H3NR1H2CDC25ACDC25B
SCHEMBL12833655 0.79 TBXAS1 (0.54) TBXAS1CDC25ACDC25BMAPTMEN1
SCHEMBL12822495 0.78 ACHE (0.41) CA2TBXAS1MAPTMEN1KMT2A
SCHEMBL12834582 0.78 CDC25A (0.45) TBXAS1CDC25ACDC25BMAPTMEN1
SCHEMBL12833641 0.78 CDC25A (0.51) TBXAS1CDC25ACDC25BMAPTMEN1
SCHEMBL29906354 0.78 TBXAS1 (0.55) TBXAS1MAPTMEN1KMT2AKDM4E
SCHEMBL26982490 0.78 TBXAS1 (0.55) TBXAS1MAPTMEN1KMT2AKDM4E
SCHEMBL29906409 0.77 TBXAS1 (0.60) TBXAS1CDC25ACDC25BMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615502-B1 THERAPEUTIC COMPOUNDS AND METHODS UNIV TASMANIA (AU) 2023-06-21 EP disclosed
US-10934253-B2 Therapeutic compounds and methods UNIVERSITY OF TASMANIA (AU) 2021-03-02 US disclosed
US-20200131119-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF TASMANIA (AU) 2020-04-30 US disclosed
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 (3 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-20200131119-A1 THERAPEUTIC COMPOUNDS AND METHODS UQCRC1, COX5B, CS CA2 1193/4885TBXAS1 993/4885NR1H3 516/4885
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL CA2 4747/4885TBXAS1 183/4885NR1H3 132/4885
US-10934253-B2 Therapeutic compounds and methods UQCRC1, COX5B, CS CA2 1193/4885TBXAS1 993/4885NR1H3 516/4885

“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.