SCHEMBL20548698

SCHEMBL20548698

C=C(C(=O)O)c1cc(OC)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL25508710 0.85 CES2 (0.48) RXRAALDH1A1GAAABCG2KDM4E
SCHEMBL11351909 0.82 PDE4A (0.47) RXRAALDH1A1GAAABCG2KDM4E
SCHEMBL6152954 0.81 CES2 (0.65) ALDH1A1ABCG2NPC1RAB9ASMN1; SMN2
SCHEMBL4592300 0.80 ALDH1A1 (0.52) RXRAALDH1A1GAAABCG2KDM4E
SCHEMBL562943 0.79 CA1 (0.63) ALDH1A1RAB9AMEN1KMT2ACES2
SCHEMBL7607934 0.78 CES2 (0.50) RXRAALDH1A1GAAABCG2KDM4E
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.78 RXRA (0.64) RXRAALDH1A1GAAABCG2KDM4E
SCHEMBL25508540 0.77 CES2 (0.64) RXRAALDH1A1GAAABCG2KDM4E
SCHEMBL7639319 0.76 TPMT (0.53) ALDH1A1ABCG2KDM4EHTTMEN1
SCHEMBL7718023 0.76 PKM (0.66) ALDH1A1GAAKDM4EHTTRAB9A

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
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
CN-109651253-B Phenylpropanoid ester derivative and application thereof as neuroprotective medicament 上海医药工业研究院 2022-03-25 CN disclosed
CN-111072638-B Method for preparing AZD4547, intermediate and preparation method of intermediate 上海工程技术大学 2021-03-16 CN 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
CN-111072638-A Method for preparing AZD4547, intermediate and preparation method of intermediate 上海工程技术大学 2020-04-28 CN 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 RXRA 1287/4885ALDH1A1 366/4885GAA 3131/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 RXRA 1398/4885ALDH1A1 340/4885GAA 2920/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 RXRA 1287/4885ALDH1A1 366/4885GAA 3131/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 RXRA 1398/4885ALDH1A1 340/4885GAA 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.