Malonic Acid

Malonic Acid

SCHEMBL20548879

COc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)c(C(C)(C)C)c1.O=C(O)CC(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.58
ESRRA P11474 3/20 0.52
NR1H4 Q96RI1 4/20 0.49
ATM Q13315 2/20 0.49
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 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
Propionic Acid SCHEMBL20548733 0.91 ALDH1A1 (0.58) ALDH1A1GAAESRRANR1H4ATM
Acetic Acid SCHEMBL20548506 0.89 ALDH1A1 (0.63) ALDH1A1GAAESRRANR1H4ATM
Adipic Acid SCHEMBL20548759 0.88 ALDH1A1 (0.56) ALDH1A1GAAESRRANR1H4ATM
SCHEMBL20548708 0.87 PTGS1 (0.57) ALDH1A1GAAESRRANR1H4L3MBTL1
SCHEMBL6142004 0.87 ALDH1A1 (0.73) ALDH1A1GAAESRRANR1H4ATM
SCHEMBL35535 0.87 ALDH1A1 (0.73) ALDH1A1GAAESRRANR1H4ATM
SCHEMBL29362042 0.87 ALDH1A1 (0.73) ALDH1A1GAAESRRANR1H4ATM
SCHEMBL20548778 0.85 ALDH1A1 (0.71) ALDH1A1GAAESRRANR1H4ATM
Terephthalic Acid SCHEMBL20548873 0.84 ESRRA (0.60) ALDH1A1GAAESRRANR1H4ATM
SCHEMBL8986474 0.83 ALDH1A1 (0.69) ALDH1A1GAAESRRANR1H4ATM

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 3131/4885ESRRA 1074/4885
US-20210008022-A1 HYDROQUINONE COMPOUNDS, PREPARATION METHODS THEREFOR, AND USE IN ANTI-TUMOR OR IMMUNOMODULATION THERAPY WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885ESRRA 1236/4885
US-10786481-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 366/4885GAA 3131/4885ESRRA 1074/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 ALDH1A1 340/4885GAA 2920/4885ESRRA 1236/4885

“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.