Sugi Predict

Sugi Predict / Compounds / SCHEMBL4813439

SCHEMBL4813439

SCHEMBL4813439

CC(C)(C)c1cccc(P(CCP(c2ccccc2)c2cccc(C(C)(C)C)c2O)c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.50
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX12 P18054 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PTPN5 P54829 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ESR1 P03372 2/20 0.31

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
SCHEMBL6275546 0.81 CA2 (0.55) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596086 0.81 CA2 (0.55) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596164 0.81 CA2 (0.50) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596676 0.80 CA2 (0.53) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596969 0.80 CA2 (0.57) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596369 0.77 CA2 (0.50) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596229 0.73 CA2 (0.64) CA2GABRA1GABRB2NPSR1ALDH1A1
Benzene SCHEMBL3767076 0.72 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL5596347 0.72 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALDH1A1
SCHEMBL20942945 0.72 CA2 (0.61) CA2GABRA1GABRB2NPSR1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014014075-A1 SUBSTITUTED BISPHENOL COMPOUND, TRANSITION METAL COMPLEX, METHOD FOR PRODUCING SAID TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD FOR PRODUCING OLEFIN POLYMER 住友化学株式会社 (JP) 2014-01-23 — — WO disclosed
US-7358209-B2 Polymerisation catalysts INEOS EUROPE LIMITED (GB) 2008-04-15 — — US disclosed
US-20060293473-A1 Polymerisation catalysts INNOVENE EUROPE LIMITED (GB) 2006-12-28 — — US disclosed
US-7144839-B2 Polymerization catalysts INNOVENE EUROPE LIMITED (GB) 2006-12-05 — — US disclosed
US-20060128913-A1 A transition metal complex and activator, catalyst support for olefins polymerization of polyethylene, polypropylene or ethylene-propylene copolymer INNOVENE EUROPE LIMITED (GB) 2006-06-15 — — 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-20060128913-A1 A transition metal complex and activator, catalyst support for olefins polymerization of polyethylene, polypropylene or ethylene-propylene copolymer TRRAP, RER1, AS3MT CA2 2087/4885GABRA1 1993/4885GABRB2 3080/4885

“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.