SCHEMBL17022600

SCHEMBL17022600

CC1=Cc2c(cccc2N2CCCc3ccccc32)C1[Hf](Cl)(Cl)(C1C(C)=Cc2c1cccc2N1CCCc2ccccc21)=[Si](C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NUDT1 P36639 1/20 0.33
EPAS1 Q99814 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL17074026 0.92 L3MBTL1 (0.32) JAK2JAK3PTK2ALDH1A1RXRA
SCHEMBL17074017 0.83 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17169025 0.80 MEN1 (0.38) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL17171843 0.80 MEN1 (0.40) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL17022705 0.79 MEN1 (0.34) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL17952987 0.78 JAK2 (0.38) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL19337843 0.78 ROCK1 (0.37) ROCK1JAK2JAK3PTK2ALDH1A1
Hydrochloric Acid SCHEMBL18036616 0.78 ROCK1 (0.36) ROCK1JAK2JAK3PTK2ALDH1A1
Hydrochloric Acid SCHEMBL18036615 0.78 ROCK1 (0.39) ROCK1JAK2JAK3PTK2ALDH1A1
SCHEMBL17022510 0.77 ROCK1 (0.39) ROCK1JAK2JAK3PTK2ALDH1A1

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-10072110-B2 Propylene-based elastomer LG CHEM, LTD. (KR) 2018-09-11 US disclosed
US-20160244542-A1 PROPYLENE-BASED ELASTOMER LG CHEM, LTD. (KR) 2016-08-25 US disclosed
US-9260457-B2 Ligand compound, a preparation method thereof, a transition metal compound including the ligand compound, and a preparation method thereof LG CHEM, LTD. (KR) 2016-02-16 US disclosed
US-20150291631-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND INCLUDING THE LIGAND COMPOUND, AND A PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2015-10-15 US disclosed
EP-2910559-A1 NOVEL LIGAND COMPOUND AND PRODUCTION METHOD FOR SAME, AND TRANSITION METAL COMPOUND COMPRISING THE NOVEL LIGAND COMPOUND AND PRODUCTION METHOD FOR SAME LG Chem, Ltd. (KR) 2015-08-26 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-20150291631-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND INCLUDING THE LIGAND COMPOUND, AND A PREPARATION METHOD THEREOF TNFSF10, TNFSF11, CD40LG ROCK1 3413/4885JAK2 753/4885JAK3 2314/4885

“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.