SCHEMBL20548489

SCHEMBL20548489

COc1ccc(OC(=O)CC2CC2)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
LPAR1 Q92633 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL20548707 0.94 POLB (0.48) ALDH1A1GAAKMT2AMEN1ATM
SCHEMBL20548878 0.83 ALDH1A1 (0.51) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL20548732 0.82 GAA (0.50) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL20548757 0.81 GAA (0.49) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL20548507 0.80 GAA (0.48) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL25261611 0.79 ALDH1A1 (0.52) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL25307457 0.78 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL20548474 0.77 ATM (0.64) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL20548718 0.77 ALDH1A1 (0.46) ALDH1A1GAAKMT2AMEN1LPAR1
SCHEMBL13688321 0.77 ALDH1A1 (0.54) ALDH1A1GAAKMT2AMEN1LPAR1

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 3131/4885KMT2A 1667/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885KMT2A 1915/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 366/4885GAA 3131/4885KMT2A 1667/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885KMT2A 1915/4885

“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.