SCHEMBL3208679

SCHEMBL3208679

CC1=CC(C)=C(c2cc3ccccc3cc2C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TSHR P16473 3/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
GAA P10253 4/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GALR3 O60755 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
CLK1 P49759 2/20 0.32
USP2 O75604 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
SCHEMBL3211740 0.81 TSHR (0.42) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3203354 0.77 CA1 (0.40) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3212090 0.76 CA1 (0.42) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3208337 0.74 KDM4E (0.41) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3208556 0.74 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2A
SCHEMBL3203661 0.73 ALDH1A1 (0.34) TSHRALDH1A1GAACYP1A2CYP2C9
SCHEMBL3200516 0.73 CA1 (0.39) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3204263 0.72 MAOB (0.41) ALDH1A1KDM4ECYP1A2HPGDL3MBTL1
SCHEMBL3210197 0.70 CA1 (0.39) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3191375 0.70 CYP2C8 (0.42) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 CA1 1751/4885CA2 2298/4885TSHR 1891/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 CA1 1751/4885CA2 2298/4885TSHR 1891/4885

“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.