SCHEMBL12833639

SCHEMBL12833639

CC1=C(Cc2ccc(Br)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.59
▸ AURKA O14965 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.48
▸ LMNA P02545 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ ALOX12 P18054 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ APAF1 O14727 1/20 0.47

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
SCHEMBL29906409 0.88 TBXAS1 (0.60) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL12761935 0.88 TBXAS1 (0.60) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL7912380 0.87 TBXAS1 (0.69) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL29906375 0.87 TBXAS1 (0.56) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL26982488 0.87 TBXAS1 (0.56) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL12761938 0.86 TBXAS1 (0.59) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL12834662 0.85 TBXAS1 (0.57) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL12833642 0.85 TBXAS1 (0.57) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL29906417 0.85 TBXAS1 (0.57) TBXAS1AURKAAURKBALDH1A1LMNA
SCHEMBL12833647 0.85 ALDH1A1 (0.62) TBXAS1AURKAAURKBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NAT RECH SCIENT (FR) 2024-05-30 — — US disclosed
EP-4301722-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre National de la Recherche Scientifique (FR) 2024-01-10 — — EP disclosed
WO-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 — — WO disclosed
EP-4053096-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre national de la recherche scientifique (FR) 2022-09-07 — — EP 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 (2 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 TBXAS1 183/4885AURKA 1458/4885AURKB 740/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 TBXAS1 417/4885AURKA 4697/4885AURKB 4328/4885

“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.

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