SCHEMBL3452375

SCHEMBL3452375

Cc1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCC(=O)O)c(C=O)c3)c3cc(C)c(OCC(=O)O)c(C=O)c3)cc2)cc(C=O)c1OCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CD69 Q07108 2/20 0.39
ELANE P08246 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CYP2C19 P33261 2/20 0.38
PPARD Q03181 5/20 0.36
PPARA Q07869 2/20 0.36
PTPN1 P18031 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGD P15428 1/20 0.34
PTPRB P23467 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
IDH1 O75874 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
SCHEMBL2192769 0.88 ALDH1A1 (0.40) SMN1; SMN2CYP2C19PPARDPPARAHSD17B10
SCHEMBL3452447 0.86 SMN1; SMN2 (0.36) SMN1; SMN2CD69ELANEPTGDR2CYP2C19
SCHEMBL13400793 0.79 ALDH1A1 (0.34) CYP2C19HSD17B10ALDH1A1CYP1A2
SCHEMBL3452321 0.78 ALDH1A1 (0.41) SMN1; SMN2CYP2C19HSD17B10ALDH1A1CYP1A2
SCHEMBL3451350 0.78 RAB9A (0.42) SMN1; SMN2CYP2C19HPGDALDH1A1CYP1A2
SCHEMBL3453686 0.77 ALDH1A1 (0.47) SMN1; SMN2CYP2C19ALDH1A1CYP1A2
SCHEMBL3457282 0.75 ALDH1A1 (0.46) CYP2C19PTPN1ALDH1A1CYP1A2
SCHEMBL3452486 0.75 THRA (0.38) SMN1; SMN2CD69ELANECYP2C19PPARD
SCHEMBL13015702 0.75 ALDH1A1 (0.38) CYP2C19ALDH1A1CYP1A2
SCHEMBL250233 0.74 ERN1 (0.42) HPGDHSD17B10ALDH1A1

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 6 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-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
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 SMN1; SMN2 2165/4885CD69 39/4885ELANE 4446/4885

“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.