SCHEMBL20548875

SCHEMBL20548875

COc1ccc(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 4/20 0.47
ALDH1A1 P00352 1/20 0.45
VCAM1 P19320 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL21629665 0.95 CA1 (0.43) CA1CA2GAAALDH1A1VCAM1
SCHEMBL20548726 0.85 ALDH1A1 (0.51) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL20548715 0.84 NPC1 (0.48) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL431493 0.84 GAA (0.56) GAAALDH1A1VCAM1KMT2AMEN1
SCHEMBL20548757 0.83 GAA (0.49) CA1CA2GAAALDH1A1VCAM1
SCHEMBL2252361 0.83 GAA (0.57) CA1CA2GAAALDH1A1VCAM1
SCHEMBL429811 0.81 GAA (0.52) GAAALDH1A1VCAM1KMT2AMEN1
SCHEMBL29594097 0.80 GAA (0.57) CA1CA2GAAALDH1A1VCAM1
SCHEMBL20548878 0.80 ALDH1A1 (0.51) CA1CA2GAAALDH1A1KMT2A
SCHEMBL11705905 0.80 GAA (0.51) GAAALDH1A1VCAM1KMT2AMEN1

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-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 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-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-106986789-B Hydroquinone compound and preparation method thereof and the application in antitumor or immunological regulation 中国人民解放军军事医学科学院生物医学分析中心 2019-07-16 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 (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-20190022049-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 CA1 4154/4885CA2 3028/4885GAA 3131/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 CA1 4154/4885CA2 3028/4885GAA 3131/4885

“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.