SCHEMBL20548872

SCHEMBL20548872

COc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OC)cc3C(C)(C)C)cc2)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MAPT P10636 3/20 0.55
NR1H4 Q96RI1 2/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 1/20 0.47

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
SCHEMBL13463776 0.94 KMT2A (0.57) KMT2AMAPTNR1H4ALDH1A1NPC1
SCHEMBL20548503 0.93 MAPT (0.54) KMT2AMAPTNR1H4ALDH1A1GAA
SCHEMBL13463777 0.93 KMT2A (0.56) KMT2AMAPTNR1H4ALDH1A1NPC1
SCHEMBL20548871 0.91 RARA (0.50) KMT2AMAPTNR1H4ALDH1A1GAA
SCHEMBL20548681 0.90 LMNA (0.60) KMT2AMAPTNR1H4ALDH1A1GAA
SCHEMBL17301270 0.89 KMT2A (0.52) KMT2AMAPTNR1H4ALDH1A1NPC1
SCHEMBL14877882 0.89 NR1H4 (0.55) KMT2AMAPTNR1H4ALDH1A1GAA
SCHEMBL20548705 0.88 RARA (0.50) KMT2AMAPTALDH1A1GAANPC1
SCHEMBL14092705 0.87 KMT2A (0.50) KMT2AMAPTNR1H4ALDH1A1NPC1
SCHEMBL14453806 0.87 KMT2A (0.50) KMT2AMAPTNR1H4ALDH1A1NPC1

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 KMT2A 1667/4885MAPT 4074/4885NR1H4 2111/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 KMT2A 1915/4885MAPT 4400/4885NR1H4 2129/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 KMT2A 1667/4885MAPT 4074/4885NR1H4 2111/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 KMT2A 1915/4885MAPT 4400/4885NR1H4 2129/4885

“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.