SCHEMBL6908459

SCHEMBL6908459

CN(C)c1ccccc1O[Zr](Cl)(Cl)Oc1ccccc1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TSPO P30536 1/20 0.33
APP P05067 1/20 0.33
HTR6 P50406 2/20 0.32
NSD2 O96028 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2458146 0.75 TSPO (0.46) MAPTGAAALDH1A1TP53TSHR
SCHEMBL2539698 0.73 CA1 (0.57) MAPTGAAALDH1A1TP53TSHR
SCHEMBL24198886 0.72 MAPT (0.38) MAPTGAAALDH1A1TP53TSHR
SCHEMBL27456686 0.72 GAA (0.32) MAPTGAAALDH1A1TP53TSHR
SCHEMBL7595250 0.71 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
Hydrochloric Acid SCHEMBL2862732 0.71 CA1 (0.55) ALDH1A1TP53TSHRAPPMAPK1
SCHEMBL2539697 0.71 MAPT (0.40) MAPTGAAALDH1A1TP53TSHR
SCHEMBL6909865 0.71 CA1 (0.62) MAPTALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL6907683 0.71 KDM4E (0.40) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL6909663 0.71 KDM4E (0.36) MAPTGAAALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730626-B2 TRANSITION METAL DERIVATIVE CAN REACT TO FORM AN IONIC COMPLEX WITH THE ALUMINOXANE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1323723-A1 TRANSITION METAL COMPOUNDS, POLYMERIZATION CATALYSTS FOR OLEFINS, OLEFIN POLYMERS AND PROCESS FOR THEIR PRODUCTION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-07-02 EP disclosed
US-20020193536-A1 Transition metal compound, polymerization catalysts for olefins, olefin polymers and process for their production IDEMITSU KOSAN CO. LTD. (JP) 2002-12-19 US 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-20020193536-A1 Transition metal compound, polymerization catalysts for olefins, olefin polymers and process for their production CCNE2, PYM1, AP1M1 MAPT 2296/4885GAA 4417/4885ALDH1A1 2755/4885

“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.