SCHEMBL3451283

SCHEMBL3451283

COC(=O)c1ccc(COc2c(C=O)cc(C(C)(C)c3ccc(C(C)(c4cc(C=O)c(OCc5ccc(C(=O)OC)cc5)c(C(C)C)c4)c4cc(C=O)c(OCc5ccc(C(=O)OC)cc5)c(C(C)C)c4)cc3)cc2C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 5/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLRA1 P23415 1/20 0.38
LMNA P02545 4/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 2/20 0.35
GCGR P47871 1/20 0.35
ERN1 O75460 1/20 0.35

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 0.88 RAB9A (0.42) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL3453335 0.81 ALOX5AP (0.44) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL3452447 0.80 SMN1; SMN2 (0.36) SMN1; SMN2CYP2C19KMT2A
SCHEMBL931224 0.76 MAPT (0.51) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL3452046 0.71 RORC (0.37) CYP3A4LMNAHPGDCA1CA2
SCHEMBL13673420 0.71 RAB9A (0.68) SMN1; SMN2MAPTLMNARAB9AMEN1
SCHEMBL22178481 0.70 CA1 (0.53) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL2192769 0.69 ALDH1A1 (0.40) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL3452134 0.69 MRGPRX4 (0.36) MAPTLMNAHPGDRAB9AMEN1
SCHEMBL930571 0.68 RAB9A (0.45) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9

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 4 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-7858608-B2 Bile acid derivatives as FXR ligands for the prevention or treatment of FXR-mediated diseases or conditions INTERCEPT PHARMACEUTICALS, INC. (US) 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-20100063018-A1 BILE ACID DERIVATIVES AS FXR LIGANDS FOR THE PREVENTION OR TREATMENT OF FXR-MEDIATED DISEASES OR CONDITIONS INTERCEPT PHARMACEUTICALS, INC. (US) 2010-03-11 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 (2 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-20100063018-A1 BILE ACID DERIVATIVES AS FXR LIGANDS FOR THE PREVENTION OR TREATMENT OF FXR-MEDIATED DISEASES OR CONDITIONS NR1H4, SLC10A1, FXR1 SMN1; SMN2 3583/4885MAPT 2756/4885CYP3A4 714/4885
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 SMN1; SMN2 2165/4885MAPT 1173/4885CYP3A4 940/4885

“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.