SCHEMBL25211546

SCHEMBL25211546

CCCc1c(C(N)=O)cc(O)c2c1C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.56
ELANE P08246 5/20 0.50
CTSG P08311 4/20 0.50
SLC37A4 O43826 2/20 0.48
MAOA P21397 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
RECQL P46063 2/20 0.46
USP2 O75604 1/20 0.46
BRCA1 P38398 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL28933782 0.93 SLC37A4 (0.57) JUNELANECTSGSLC37A4MAOA
Bromide SCHEMBL29191320 0.76 SLC37A4 (0.39) JUNELANECTSGSLC37A4MAOA
SCHEMBL16916988 0.76 MAOA (0.53) JUNELANECTSGSLC37A4MAOA
SCHEMBL29077765 0.74 ALDH1A1 (0.43) JUNELANECTSGSLC37A4MAOA
SCHEMBL2314224 0.73 JUN (0.69) JUNELANECTSGSLC37A4MAOA
SCHEMBL16431884 0.72 JUN (1.00) JUNELANECTSGSLC37A4MAOA
SCHEMBL16916989 0.71 MAOA (0.54) JUNELANECTSGMAOAALDH1A1
Lupinacidin B SCHEMBL29884252 0.71 ELANE (0.61) JUNELANECTSGSLC37A4MAOA
SCHEMBL8996324 0.71 FTO (0.68) JUNELANECTSGMAOAALDH1A1
SCHEMBL30695844 0.70 MAOA (0.86) ELANECTSGMAOAALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999136-B Rhein derivative, preparation method and application thereof, and liver cancer inhibitor specifically expressed by RECQL4 山东第一医科大学(山东省医学科学院) 2023-08-04 CN disclosed
US-20230174497-A1 RHEIN AMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF, AND INHIBITOR OF HEPATOCELLULAR CARCINOMA (HCC) WITH SPECIFIC RECQL4 EXPRESSION Shandong First Medical University & Shandong Academy Of Medical Sciences (CN) 2023-06-08 US disclosed
CN-113999136-A Rheum officinale amide derivative, preparation method and application thereof, and liver cancer inhibitor specifically expressed by RECQL4 山东第一医科大学(山东省医学科学院) 2022-02-01 CN 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 (1 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-20230174497-A1 RHEIN AMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF, AND INHIBITOR OF HEPATOCELLULAR CARCINOMA (HCC) WITH SPECIFIC RECQL4 EXPRESSION RECQL, MRTO4, SNU13 JUN 4675/4885ELANE 4057/4885CTSG 4760/4885

“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.