SCHEMBL20548729

SCHEMBL20548729

COc1ccc(OC(=O)C(C)NC(=O)OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
ABCB1 P08183 2/20 0.39
SRC P12931 1/20 0.38
LPAR1 Q92633 1/20 0.38
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL20548730 1.00 KDM4E (0.51) KDM4EHPGDGAAMAPTGLA
SCHEMBL23493265 0.79 KDM4E (0.64) KDM4EHPGDGAAMAPTGLA
SCHEMBL30184764 0.79 KDM4E (0.64) KDM4EHPGDGAAMAPTGLA
SCHEMBL23493263 0.79 KDM4E (0.64) KDM4EHPGDGAAMAPTGLA
SCHEMBL20548725 0.78 GAA (0.48) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL25261611 0.78 ALDH1A1 (0.52) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL19423154 0.77 EPHX2 (0.58) KDM4EHPGDGAAMAPTGLA
SCHEMBL21643031 0.77 EPHX2 (0.47) KDM4EHPGDGAAMAPTGLA
SCHEMBL20548878 0.76 ALDH1A1 (0.51) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL20662060 0.76 KDM4E (0.45) KDM4EHPGDGAAMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190022049-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2019-01-24 US claimed
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy BIOMEDICAL ANALYSIS CENTER, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-08-29 US disclosed
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY BIOMEDICAL ANALYSIS CENTER, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2021-01-14 US disclosed
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy BIOMEDICAL ANAYLSIS CENTER, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2020-09-29 US disclosed
US-20190022049-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2019-01-24 US disclosed
EP-3398934-A1 HYDROQUINONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION IN TUMOUR RESISTANCE OR IMMUNOMODULATION Biomedical Analysis Center Academy of Military Medical Sciences (CN) 2018-11-07 EP 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 (4 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-20190022049-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 KDM4E 664/4885HPGD 135/4885GAA 3131/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 KDM4E 971/4885HPGD 121/4885GAA 2920/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 KDM4E 664/4885HPGD 135/4885GAA 3131/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 KDM4E 971/4885HPGD 121/4885GAA 2920/4885

“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.