SCHEMBL6413743

SCHEMBL6413743

COc1ccc2ccc(C=O)c(O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.62
TYR P14679 1/20 0.62
TRIM33 Q9UPN9 1/20 0.62
ERN1 O75460 8/20 0.57
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TYMS P04818 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
SCHEMBL12760794 0.89 TRIM24 (0.60) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL14877078 0.83 ALDH1A1 (0.58) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL5506162 0.81 ALDH1A1 (0.56) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL12965287 0.80 ERN1 (0.53) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL21851719 0.79 TRIM24 (0.60) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL1882848 0.78 MTNR1A (0.59) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL31460483 0.78 ALDH1A1 (0.56) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL17316828 0.78 ALDH1A1 (0.56) TRIM24TYRTRIM33ERN1ALDH1A1
SCHEMBL15698087 0.77 ERN1 (0.48) ERN1ALDH1A1CYP1A2KDM4ETYMS
SCHEMBL10331768 0.77 ESR1 (0.45) TRIM24TYRTRIM33ERN1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 EP disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 US disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 US disclosed
EP-2691372-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS Centre National De La Recherche Scientifique (FR) 2014-02-05 EP disclosed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 WO disclosed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 WO disclosed
EP-2505583-A1 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents Centre National de la Recherche Scientifique (FR) 2012-10-03 EP disclosed
EP-2505583-A1 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents Centre National de la Recherche Scientifique (FR) 2012-10-03 EP disclosed
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US disclosed
WO-2004111003-A1 AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A TRIM24 4795/4885TYR 456/4885TRIM33 4356/4885
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 TRIM24 3446/4885TYR 270/4885TRIM33 3913/4885

“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.