SCHEMBL6862346

SCHEMBL6862346

O=C(O)CCc1c(CCc2[nH]c3ccccc3c2C(=O)O)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 2/20 0.63
EGFR P00533 4/20 0.58
SRC P12931 2/20 0.58
OXER1 Q8TDS5 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
GPR17 Q13304 3/20 0.46
FOLH1 Q04609 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30479097 1.00 KDM4E (0.63) KDM4EALDH1A1EGFRSRCOXER1
SCHEMBL6014774 0.87 KDM4E (0.61) KDM4EALDH1A1EGFRSRCOXER1
SCHEMBL6865930 0.84 ALOX5 (0.56) KDM4EALDH1A1EGFRSRCOXER1
SCHEMBL29127032 0.80 ALDH1A1 (0.58) KDM4EALDH1A1EGFRSRCOXER1
SCHEMBL2944735 0.80 MTNR1A (0.66) KDM4EALDH1A1EGFRSRCMEN1
SCHEMBL27348910 0.79 EGFR (0.63) KDM4EALDH1A1EGFRSRCOXER1
SCHEMBL29432490 0.78 KDM4E (1.00) KDM4EALDH1A1EGFRSRCGPR17
SCHEMBL7551694 0.78 OXER1 (0.60) KDM4EALDH1A1OXER1KMT2ATDP1
SCHEMBL9188195 0.78 KDM4E (1.00) KDM4EALDH1A1EGFRSRCGPR17
SCHEMBL28516422 0.77 KDM4E (0.66) KDM4EALDH1A1EGFRSRCMEN1

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
WO-2023185709-A1 MARKER COMBINATION FOR DIAGNOSING ADVANCED COLORECTAL TUMOR, AND APPLICATION THEREOF 武汉迈特维尔医学科技有限公司 2023-10-05 WO claimed
CN-116430047-A Metabolic marker for evaluating colorectal cancer and colorectal cancer risk in progressive stage and application thereof 武汉迈特维尔医学科技有限公司 2023-07-14 CN claimed
WO-2023185709-A1 MARKER COMBINATION FOR DIAGNOSING ADVANCED COLORECTAL TUMOR, AND APPLICATION THEREOF 武汉迈特维尔医学科技有限公司 2023-10-05 WO disclosed
CN-116430047-A Metabolic marker for evaluating colorectal cancer and colorectal cancer risk in progressive stage and application thereof 武汉迈特维尔医学科技有限公司 2023-07-14 CN disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 US disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 WO 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-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 KDM4E 3436/4885ALDH1A1 1910/4885EGFR 3859/4885

“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.