SCHEMBL3452572

SCHEMBL3452572

CC(C)c1cc(C(C)(C)c2cccc(C(C)(c3cc(C=O)c(O)c(C(C)C)c3)c3cc(C=O)c(O)c(C(C)C)c3)c2)cc(C=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
RORC P51449 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL3452046 0.88 RORC (0.37) ESR1ESR2RORCGABRA1GABRB1
SCHEMBL3452359 0.84 ESR1 (0.42) ESR1ESR2TSHRPTGS1ERN1
SCHEMBL3452255 0.82 ESR1 (0.41) ESR1ESR2CYP1A2CYP3A4CA2
SCHEMBL3452569 0.81 ESR1 (0.40) ESR1ESR2GABRA1GABRB2PTPN5
SCHEMBL10809787 0.77 ERN1 (0.41) GABRA1GABRB1CA1CA2LMNA
SCHEMBL3451314 0.76 ESR1 (0.50) ESR1ESR2ERN1MAPTALOX15
SCHEMBL3452989 0.76 RORC (0.52) ESR1ESR2RORCCYP1A2CYP3A4
SCHEMBL3453280 0.75 PTPN5 (0.36) ESR1ESR2PTPN5ERN1MEN1
SCHEMBL9177422 0.73 ESR1 (0.50) ESR1ESR2CYP3A4LMNABLM
SCHEMBL9176114 0.72 ERN1 (0.58) CYP3A4LMNAHPGDTSHRHIF1A

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 ESR1 132/4885ESR2 382/4885RORC 466/4885

“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.