SCHEMBL2802230

SCHEMBL2802230

CC(C)=[Zr](C1C=Cc2ccccc21)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL6904165 0.87 L3MBTL1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL8596413 0.83 POLB (0.33) NFKB1
Hydrochloric Acid SCHEMBL8380981 0.82 POLB (0.33)
SCHEMBL2804104 0.81 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL5174476 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2805311 0.77 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Chloromethane SCHEMBL7608709 0.77 BRD4 (0.33) ALDH1A1NFKB1
SCHEMBL6907164 0.77 LMNA (0.31)
SCHEMBL5083099 0.77
SCHEMBL1922929 0.77 BRD4 (0.35) NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785574-B2 Bridged metallocene compound, olefin polymerization catalyst containing the same, and ethylene polymer obtained with the catalyst MITSUI CHEMICALS, INC. (JP) 2014-07-22 US disclosed
US-20140114031-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST PRIME POLYMER CO., LTD. (JP) 2014-04-24 US disclosed
EP-2218725-B1 BRIDGED METALLOCENE OLEFIN POLYMERIZATION CATALYST AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST MITSUI CHEMICALS INC (JP) 2013-10-23 EP disclosed
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST MITSUI CHEMICALS, INC. 2010-11-18 US disclosed
EP-2218725-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-08-18 EP disclosed
EP-2050771-A1 FILM OR LAMINATE COMPRISING ETHYLENE RESIN OR ETHYLENE RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-04-22 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 (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-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST CAD, ENDOD1, CCT7 NPC1 1729/4885ALDH1A1 979/4885PLA2G1B 1797/4885

“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.