SCHEMBL3452134

SCHEMBL3452134

COC(=O)c1cccc2c(COc3c(C)cc(C(C)(C)c4ccc(C(C)(c5cc(C)c(OCc6cccc7c(C(=O)OC)cccc67)c(C=O)c5)c5cc(C)c(OCc6cccc7c(C(=O)OC)cccc67)c(C=O)c5)cc4)cc3C=O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GSK3B P49841 1/20 0.31
PSMD14 O00487 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3451350 0.79 RAB9A (0.42) ALDH1A1POLBRAB9AMAPTKDM4E
SCHEMBL2192769 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL3452375 0.74 SMN1; SMN2 (0.40) ALDH1A1HPGDHSD17B10
SCHEMBL3452321 0.72 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL3451790 0.71 MRGPRX4 (0.36) MRGPRX4
SCHEMBL931626 0.70 MRGPRX4 (0.41) MRGPRX4ALDH1A1POLBRAB9APIM1
SCHEMBL13400793 0.69 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL3451283 0.69 SMN1; SMN2 (0.38) RAB9AMAPTTDP1KDM4EHPGD
SCHEMBL3453686 0.66 ALDH1A1 (0.47) ALDH1A1POLBMAPTKDM4ELMNA
SCHEMBL3453335 0.66 ALOX5AP (0.44) RAB9AMAPTHPGDLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
US-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 US 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-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 MRGPRX4 3936/4885ALDH1A1 1711/4885POLB 2062/4885

“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.