SCHEMBL3673343

SCHEMBL3673343

CCCC(=O)N([Ti](Cl)Cl)C(C)(C)c1ccccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PNMT P11086 1/20 0.34
TP53 P04637 1/20 0.34
HTR2B P41595 3/20 0.34
HTR7 P34969 2/20 0.34
HSP90AA1 P07900 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 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
SCHEMBL3737396 0.76 PNMT (0.35) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL3748758 0.76 PNMT (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL3213527 0.76 TP53 (0.33) NPC1RAB9ATP53CYP1A2SLC6A2
SCHEMBL3682846 0.76 NPC1 (0.38) NPC1RAB9APNMTTP53HTR2B
SCHEMBL3677088 0.75 PNMT (0.41) NPC1RAB9APNMTTP53HTR2B
SCHEMBL3748692 0.73 PNMT (0.33) NPC1RAB9APNMT
SCHEMBL3680491 0.72 NPC1 (0.36) NPC1RAB9APNMTTP53HTR2B
SCHEMBL3685727 0.71 PNMT (0.39) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL27835838 0.69 PNMT (0.47) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL3748756 0.68 PNMT (0.39) NPC1RAB9APNMTHTR2BHTR7

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
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-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
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-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 NPC1 2173/4885RAB9A 1759/4885PNMT 1804/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 NPC1 2173/4885RAB9A 1759/4885PNMT 1804/4885

“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.