SCHEMBL18311412

SCHEMBL18311412

O=c1c(O)ccc(-c2ccc(-c3ccccc3)cc2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.68
▸ ACMSD Q8TDX5 3/20 0.57
▸ HNF4A P41235 2/20 0.57
▸ DHFR P00374 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ ESR2 Q92731 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL18311410 1.00 ALOX5 (0.68) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL18311411 0.96 ALOX5 (0.63) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL928289 0.81 ALOX5 (1.00) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL29848221 0.81 ALOX5 (1.00) ALOX5ACMSDHNF4ADHFRMCL1
Formaldehyde SCHEMBL28374238 0.80 ALOX5 (0.86) ALOX5ACMSDHNF4ADHFRMCL1
Bicarbonate SCHEMBL11789771 0.80 ALOX5 (0.86) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL27714322 0.79 ALOX5 (0.95) ALOX5ACMSDHNF4ADHFRMCL1
Methane SCHEMBL28271157 0.79 ALOX5 (0.95) ALOX5ACMSDHNF4ADHFRMCL1
SCHEMBL18311413 0.79 QDPR (0.70) ALOX5KDM4ELMNAMAPTAPP
Sulfur Dioxide SCHEMBL22500872 0.78 ALOX5 (0.83) ALOX5ACMSDHNF4ADHFRMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307256-B1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITIS B UNIV SAINT LOUIS (US) 2023-06-07 — — EP disclosed
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 — — US disclosed
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 — — US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 — — US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 — — US disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 — — WO disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 — — WO disclosed
WO-2016201243-A1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITS B AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-12-15 — — 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-20190099385-A1 ANTI-FUNGAL COMPOUNDS ERG28, NANS, DPM1 ALOX5 3669/4885ACMSD 668/4885HNF4A 4055/4885
US-10980754-B2 Anti-fungal compounds ERG28, NANS, DPM1 ALOX5 3669/4885ACMSD 668/4885HNF4A 4055/4885

“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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