SCHEMBL6910374

SCHEMBL6910374

CC(C)c1ccc(O[Zr](Cl)(Cl)Oc2ccc(C(C)C)cc2N(C)C)c(N(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
APP P05067 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CCR5 P51681 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30

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 SCHEMBL6910371 0.75 LMNA (0.32) LMNAAPPTRPA1PTGS1CACNA1C
Hydrochloric Acid SCHEMBL6910375 0.75 ACHE (0.34) LMNAAPPTRPA1PTGS1CACNA1C
SCHEMBL12015788 0.73 PDE2A (0.40) APPALDH1A1
SCHEMBL6909648 0.72 GABRA1 (0.33)
SCHEMBL14200344 0.72 LMNA (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL6908459 0.71 MAPT (0.36) LMNAAPPALDH1A1GAA
SCHEMBL12015786 0.71 LMNA (0.38) LMNATRPA1PTGS1CACNA1CHCRTR1
SCHEMBL12015805 0.70 CYP2C9 (0.40) BCHEACHECCR5ALDH1A1
Hydrochloric Acid SCHEMBL29393023 0.70 NCEH1 (0.46) ACHEALDH1A1
SCHEMBL14200023 0.69 CCR5 (0.48) APPCCR5ALDH1A1

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 LMNA 4525/4885APP 1576/4885TRPA1 2523/4885

“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.