SCHEMBL20548508

SCHEMBL20548508

COc1ccc(OC(=O)C(C)c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LPAR1 Q92633 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
GPR88 Q9GZN0 1/20 0.41

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
SCHEMBL20548725 0.81 GAA (0.48) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL20548503 0.79 MAPT (0.54) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL28911347 0.79 ATM (0.47) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL25261611 0.78 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL25307457 0.77 ALDH1A1 (0.55) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL28926942 0.77 GPR88 (0.54) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL20548878 0.76 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL13688321 0.76 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL20548732 0.75 GAA (0.50) ALDH1A1GAAMEN1KMT2ALPAR1
SCHEMBL6768191 0.75 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2ALPAR1

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-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 claimed
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 ALDH1A1 366/4885GAA 3131/4885MEN1 1723/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885MEN1 1518/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 366/4885GAA 3131/4885MEN1 1723/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885MEN1 1518/4885

“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.