SCHEMBL6907683

SCHEMBL6907683

CN(C)c1cc(C(C)(C)C)ccc1O[Zr](Cl)(Cl)Oc1ccc(C(C)(C)C)cc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.34
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
APP P05067 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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 SCHEMBL6907676 0.75 KDM4E (0.41) KDM4EL3MBTL1CA1CA2CA9
Hydrochloric Acid SCHEMBL6907685 0.75 KDM4E (0.41) KDM4EL3MBTL1CA1CA2CA9
SCHEMBL4429600 0.74 CA1 (0.39) KDM4EL3MBTL1CA1CA2CA9
SCHEMBL6906564 0.73 POLB (0.33) KDM4E
SCHEMBL13166889 0.72 CYP1A2 (0.41) KDM4EL3MBTL1CA1CA2CA9
SCHEMBL6902398 0.72
SCHEMBL6908459 0.71 MAPT (0.36) KDM4EL3MBTL1CA1CA2CA9
Hydrochloric Acid SCHEMBL29393253 0.70 ALDH1A1 (0.43) L3MBTL1CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL6645099 0.69 CA1 (0.45) KDM4ECA1CA2CA9CYP2C19
SCHEMBL19240329 0.69 KDM4E (0.43) KDM4EL3MBTL1CYP2C19CYP1A2ALDH1A1

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 KDM4E 655/4885L3MBTL1 1018/4885CA1 964/4885

“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.