SCHEMBL3203225

SCHEMBL3203225

CN(C)CC1=CCC(c2ccccc2CO)=C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 4/20 0.38
BACE1 P56817 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP1A2 P05177 5/20 0.33
CYP2D6 P10635 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
NPY1R P25929 1/20 0.33
MAPK1 P28482 1/20 0.33
NPY2R P49146 1/20 0.33
CYP3A4 P08684 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL3207541 0.94 SLC6A4 (0.37) SLC6A4SLC6A2BACE1PDCD1CD274
SCHEMBL3200656 0.85 KDM4E (0.36) SLC6A4SLC6A2CYP1A2CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL3213397 0.82 BACE1 (0.33) SLC6A4SLC6A2BACE1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3213406 0.81 SLC6A2 (0.31) SLC6A4SLC6A2BACE1ALDH1A1LMNA
SCHEMBL3202892 0.80 BACE1 (0.37) BACE1CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL3200448 0.80 CYP1A2 (0.32) BACE1CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL3213391 0.79 KDM4E (0.46) CYP1A2CYP2D6ALDH1A1LMNANPY1R
Hydrochloric Acid SCHEMBL3262038 0.79 CYP1A2 (0.33) CYP1A2CYP2D6ALDH1A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL3261202 0.79 CYP1A2 (0.33) CYP1A2CYP2D6ALDH1A1TSHRLMNA
SCHEMBL3201663 0.78 SLC6A4 (0.32) SLC6A4SLC6A2ALDH1A1TSHRSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
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
CN-100357303-C Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2007-12-26 CN disclosed
CN-1817837-A Substituted cyclopentadiene and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1578783-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN 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 SLC6A4 4222/4885SLC6A2 4524/4885BACE1 1127/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 SLC6A4 4222/4885SLC6A2 4524/4885BACE1 1127/4885

“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.