SCHEMBL12833645

SCHEMBL12833645

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.54
▸ CHRM5 P08912 3/20 0.46
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALOX12 P18054 3/20 0.45
▸ CCR6 P51684 3/20 0.45
▸ HKDC1 Q2TB90 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ HTT P42858 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL12822356 0.87 IDH1 (0.44) TBXAS1CHRM5MAPTKMT2AHSP90AA1
SCHEMBL29906466 0.87 IDH1 (0.44) TBXAS1CHRM5MAPTKMT2AHSP90AA1
SCHEMBL12833649 0.86 TBXAS1 (0.55) TBXAS1MAPTALDH1A1LMNAKDM4E
SCHEMBL29906394 0.86 MAOA (0.50) TBXAS1CHRM5MAPTALDH1A1LMNA
SCHEMBL12760719 0.86 MAOA (0.50) TBXAS1CHRM5MAPTALDH1A1LMNA
SCHEMBL12822344 0.86 MAOA (0.50) TBXAS1CHRM5MAPTALDH1A1LMNA
SCHEMBL29906407 0.86 HIF1A (0.50) CHRM5MAPTALDH1A1LMNAKDM4E
SCHEMBL26982495 0.86 HIF1A (0.50) CHRM5MAPTALDH1A1LMNAKDM4E
SCHEMBL29906366 0.85 CHRM5 (0.46) CHRM5MAPTALDH1A1LMNAKDM4E
SCHEMBL26982494 0.85 CHRM5 (0.46) CHRM5MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118439940-A Preparation method and application of 1, 4-naphthoquinone compound 珠海科技学院 2024-08-06 — — CN 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 (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 TBXAS1 183/4885CHRM5 4784/4885MAPT 2505/4885

“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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