SCHEMBL21526697

SCHEMBL21526697

Cc1nn(-c2ccc(O)c(F)c2)c(=O)c2c(O)cc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 6/20 0.55
ESR1 P03372 11/20 0.52
ESR2 Q92731 11/20 0.52
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL21526716 0.85 ESR2 (0.50) ESRRAESR1ESR2GAARAB9A
SCHEMBL21526698 0.85 ESRRA (0.61) ESRRAESR1ESR2
SCHEMBL14085381 0.72 CYP11B1 (0.49) GAARAB9AALDH1A1L3MBTL1HTT
SCHEMBL2589588 0.71 ESRRA (1.00) ESRRAESR1ESR2
SCHEMBL15006807 0.71 ESR2 (0.74) ESRRAESR1ESR2
SCHEMBL21526692 0.69 ESR2 (0.57) ESRRAESR1ESR2
SCHEMBL21526708 0.69 ESR2 (0.57) ESRRAESR1ESR2
SCHEMBL21526728 0.69 ESR2 (0.49) ESRRAESR1ESR2
SCHEMBL2006727 0.69 CYP19A1 (0.48) ESR1ESR2CA12CA9
SCHEMBL2584319 0.68 ESR2 (1.00) ESRRAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640469-B2 Polyhydroxyphthalazinone compound, preparation method thereof and use thereof REJUVGEN PHARMACEUTICALS, INC. (CN) 2020-05-05 US disclosed
US-10640469-B2 Polyhydroxyphthalazinone compound, preparation method thereof and use thereof REJUVGEN PHARMACEUTICALS, INC. (CN) 2020-05-05 US disclosed
EP-3564215-A1 POLYHYDROXYPHTHALAZINONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Rejuvgen Pharmaceuticals, Inc. (CN) 2019-11-06 EP disclosed
EP-3564215-A1 POLYHYDROXYPHTHALAZINONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Rejuvgen Pharmaceuticals, Inc. (CN) 2019-11-06 EP disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 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-10640469-B2 Polyhydroxyphthalazinone compound, preparation method thereof and use thereof ESRRB, ESR2, ESRRA ESRRA 3/4885ESR1 6/4885ESR2 2/4885
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ESRRA 2081/4885ESR1 1678/4885ESR2 2266/4885

“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.