SCHEMBL3453335

SCHEMBL3453335

COC(=O)c1ccc(COc2c(C=O)cc(C(C)(C)c3ccc(C(C)(c4cc(C=O)c(OCc5ccc(C(=O)OC)cc5)c(C5CCCCC5)c4)c4cc(C=O)c(OCc5ccc(C(=O)OC)cc5)c(C5CCCCC5)c4)cc3)cc2C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.44
FEN1 P39748 4/20 0.44
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3451350 0.84 RAB9A (0.42) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3451820 0.84 PTGDR2 (0.44) ALOX5APFEN1MAPTCYP1A2CYP2C19
SCHEMBL3451283 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3452895 0.74 KDM4E (0.33) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL931224 0.73 MAPT (0.51) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3452783 0.73 PTGDR2 (0.32) MAPTCYP3A4HPGDMEN1KMT2A
SCHEMBL3452350 0.69 ALOX5AP (0.36) ALOX5APFEN1HDAC1HDAC8HDAC6
SCHEMBL13673420 0.68 RAB9A (0.68) SMN1; SMN2MAPTRAB9ALMNANPC1
SCHEMBL13864939 0.67 PTGDR2 (0.41) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL22178481 0.67 CA1 (0.53) MAPTRAB9ANPC1MEN1KMT2A

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 ALOX5AP 1930/4885FEN1 1845/4885HDAC1 411/4885

“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.