SCHEMBL3211942

SCHEMBL3211942

CN(C)CC1=C(c2ccc3ccccc3c2C(=N)c2ccccc2)CC=C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 4/20 0.33
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30

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
SCHEMBL3211699 0.84 KDM4E (0.36) KDM4EMAPTTDP1NCEH1
SCHEMBL3203795 0.83 KDM4E (0.33) KDM4EMAPTTDP1CYP1A2CYP2D6
SCHEMBL3216697 0.81 CYP1A2 (0.32) KDM4EMAPTTDP1CYP1A2CYP2D6
SCHEMBL3212453 0.81 KDM4E (0.34) KDM4EMAPTTDP1KMT2ANCEH1
SCHEMBL3207977 0.81 RAB9A (0.31) CYP1A2CYP2D6TSHRALDH1A1KMT2A
SCHEMBL3190088 0.81 ALDH1A1 (0.34) KDM4EMAPTTDP1CYP1A2CYP2D6
SCHEMBL3200962 0.80 ALDH1A1 (0.34) KDM4ECYP1A2CYP2D6TSHRCYP3A4
SCHEMBL3217079 0.79 KDM4E (0.46) KDM4EMAPTTDP1CYP1A2CYP2D6
SCHEMBL3203033 0.77 CYP3A4 (0.33) TSHRCYP3A4ALDH1A1KMT2AALOX15
SCHEMBL3204222 0.77 KDM4E (0.38) KDM4EMAPTTDP1CYP1A2CYP2D6

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 KDM4E 4084/4885MAPT 2641/4885TDP1 4304/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 KDM4E 4084/4885MAPT 2641/4885TDP1 4304/4885

“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.