SCHEMBL3452447

SCHEMBL3452447

CC(C)c1cc(C(C)(C)c2ccc(C(C)(c3cc(C=O)c(OCC(=O)O)c(C(C)C)c3)c3cc(C=O)c(OCC(=O)O)c(C(C)C)c3)cc2)cc(C=O)c1OCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CD69 Q07108 2/20 0.36
ELANE P08246 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CYP2C19 P33261 1/20 0.35
THRB P10828 6/20 0.35
THRA P10827 5/20 0.35
SRD5A2 P31213 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
PPARG P37231 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL3452375 0.86 SMN1; SMN2 (0.40) SMN1; SMN2CD69ELANEPTGDR2CYP2C19
SCHEMBL3451283 0.80 SMN1; SMN2 (0.38) SMN1; SMN2CYP2C19KMT2A
SCHEMBL3452453 0.77 THRB (0.40) SMN1; SMN2CD69ELANETHRBTHRA
SCHEMBL3452046 0.77 RORC (0.37)
SCHEMBL2192769 0.75 ALDH1A1 (0.40) SMN1; SMN2CYP2C19KMT2APPARG
SCHEMBL3453686 0.73 ALDH1A1 (0.47) SMN1; SMN2CYP2C19KMT2A
SCHEMBL3457282 0.72 ALDH1A1 (0.46) CYP2C19KMT2A
SCHEMBL3452486 0.72 THRA (0.38) SMN1; SMN2CD69ELANECYP2C19THRB
SCHEMBL2192012 0.71 THRA (0.38) SMN1; SMN2CD69ELANECYP2C19THRB
SCHEMBL3452989 0.71 RORC (0.52) SMN1; SMN2CYP2C19KMT2A

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 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.