SCHEMBL2801654

SCHEMBL2801654

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2[Zr](C1=CC=CC1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CYP19A1 P11511 1/20 0.31
TNF P01375 1/20 0.31
KLF5 Q13887 1/20 0.31
NOD1 Q9Y239 1/20 0.31
RXRA P19793 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
Hydrochloric Acid SCHEMBL812258 0.99 KCNK9 (0.32) KCNK9ACHENPC1ALDH1A1PLA2G1B
SCHEMBL6226723 0.93
SCHEMBL4427085 0.92 ACHE (0.34) ACHEALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL811664 0.92
SCHEMBL2803241 0.91 ALDH1A1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6902105 0.90
Hydrochloric Acid SCHEMBL812467 0.90 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL851746 0.90 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2861724 0.90 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL813267 0.89 KCNK3 (0.34) KMT2A

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-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

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 KCNK9 4657/4885ACHE 2662/4885NPC1 1729/4885

“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.