SCHEMBL3452783

SCHEMBL3452783

CC(C)(c1ccc(C(C)(c2cc(C=O)c(O)c(C3CCCC3)c2)c2cc(C=O)c(O)c(C3CCCC3)c2)cc1)c1cc(C=O)c(O)c(C2CCCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ERN1 O75460 1/20 0.31
PTPN5 P54829 2/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
AR P10275 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30
ESRRG P62508 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3452895 0.99 KDM4E (0.33) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL3453280 0.88 PTPN5 (0.36) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL12524314 0.85 KDM4E (0.36) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL15625203 0.79 ESR1 (0.41) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL250233 0.78 ERN1 (0.42) ERN1ESR1CYP3A4ARHPGD
SCHEMBL3452364 0.78 KLF10 (0.42) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL3451820 0.77 PTGDR2 (0.44) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL3453650 0.76 PTGS2 (0.41) MEN1MAPTKMT2AERN1ESR1
SCHEMBL11629893 0.76 ALOX15 (0.42) PTGDR2KDM4EMEN1MAPTKMT2A
SCHEMBL3452776 0.75 ESR1 (0.37) ERN1ESR1CYP3A4ARHPGD

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 2 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-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 PTGDR2 3160/4885KDM4E 252/4885MEN1 4749/4885

“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.