SCHEMBL12833647

SCHEMBL12833647

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
LMNA P02545 6/20 0.62
MAPT P10636 6/20 0.62
KDM4E B2RXH2 5/20 0.62
HPGD P15428 4/20 0.62
NPSR1 Q6W5P4 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALOX12 P18054 3/20 0.62
CCR6 P51684 3/20 0.62
HKDC1 Q2TB90 3/20 0.62
KDM4C Q9H3R0 1/20 0.62
TBXAS1 P24557 1/20 0.57
HTT P42858 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
PKM P14618 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46

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 0.86 TBXAS1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL12761935 0.86 TBXAS1 (0.60) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL7912380 0.86 TBXAS1 (0.69) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL12761938 0.85 TBXAS1 (0.59) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL12833639 0.85 TBXAS1 (0.59) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL29906406 0.84 TBXAS1 (0.52) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL26982470 0.84 TBXAS1 (0.52) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL12833642 0.83 TBXAS1 (0.57) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL12834662 0.83 TBXAS1 (0.57) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL29906417 0.83 TBXAS1 (0.57) ALDH1A1LMNAMAPTKDM4EHPGD

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 ALDH1A1 539/4885LMNA 421/4885MAPT 2505/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 ALDH1A1 860/4885LMNA 3404/4885MAPT 3960/4885

“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.